BENZOXAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5NO
Molecular Weight	119.1207
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O1C=NC2=C1C=CC=C2

InChI

InChIKey=BCMCBBGGLRIHSE-UHFFFAOYSA-N

InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

HIDE SMILES / InChI

Molecular Formula	C7H5NO
Molecular Weight	119.1207
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.	2009-05	18694614
Modulating the near-infrared luminescence of neodymium and ytterbium complexes with tridentate ligands based on benzoxazole-substituted 8-hydroxyquinolines.	2009-04-06	19245256
Unexpected orthogonality of S-benzoxazolyl and S-thiazolinyl glycosides: application to expeditious oligosaccharide assembly.	2009-02-19	19161321
Identification of a series of benzoxazoles as potent 5-HT6 ligands.	2009-02-15	19152787
Caboxamycin, a new antibiotic of the benzoxazole family produced by the deep-sea strain Streptomyces sp. NTK 937.	2009-02	19198633
Trifluoromethoxy-benzylated ligands improve amyloid detection in the brain using (19)F magnetic resonance imaging.	2009-01	18996420
Efficient synthesis of an alpha(2,9) trisialic acid by one-pot glycosylation and polymer-assisted deprotection.	2008-12-18	19053743
Nataxazole, a new benzoxazole derivative with antitumor activity produced by Streptomyces sp. Tü 6176.	2008-11	19168984
Focusing and stabilization of bis-intercalating dye-DNA complexes for high-sensitive CE-LIF DNA analysis.	2008-11	19035400
Structure-activity relationships of novel heteroaryl-acrylonitriles as cytotoxic and antibacterial agents.	2008-09	18187237
Synthesis and biological properties of benzothiazole, benzoxazole, and chromen-4-one analogues of the potent antitumor agent 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole (PMX 610, NSC 721648).	2008-08-28	18666770
Synthesis of new arylpiperazinylalkylthiobenzimidazole, benzothiazole, or benzoxazole derivatives as potent and selective 5-HT1A serotonin receptor ligands.	2008-08-14	18598015
Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity.	2008-07-24	18588282
Iron-catalyzed intramolecular o-arylation: synthesis of 2-aryl benzoxazoles.	2008-07-03	18507387
Synthesis of new carbon-11 labeled benzoxazole derivatives for PET imaging of 5-HT(3) receptor.	2008-07	18045745
Synthesis, potent anti-staphylococcal activity and QSARs of some novel 2-anilinobenzazoles.	2008-07	18022733
Catalytic aza-Wittig cyclizations for heteroaromatic synthesis.	2008-06-19	18489173
Gelation-induced fluorescence enhancement of benzoxazole-based organogel and its naked-eye fluoride detection.	2008-05-28	18473071
Copper-catalyzed domino annulation approaches to the synthesis of benzoxazoles under microwave-accelerated and conventional thermal conditions.	2008-05-02	18376860
Intramolecular exciplexes based on benzoxazole: photophysics and applications as fluorescent cation sensors.	2008-05	18465020
The dichotomy in the DNA-binding behaviour of ruthenium(II) complexes bearing benzoxazole and benzothiazole groups.	2008-04	18055017
Application of glycosyl thioimidates in solid-phase oligosaccharide synthesis.	2008-03-07	18237185
5-Fluorotryptamine is a partial agonist at 5-HT3 receptors, and reveals that size and electronegativity at the 5 position of tryptamine are critical for efficient receptor function.	2008-02-12	18082160
Evaluation of metal-mediated DNA binding of benzoxazole ligands by electrospray ionization mass spectrometry.	2008-02	17583529
Deprotonative metalation of five-membered aromatic heterocycles using mixed lithium-zinc species.	2008-01-04	18052295
Comparative in vitro and ex vivo activities of selected inhibitors of transthyretin aggregation: relevance in drug design.	2007-11-15	17683281
Rapid and efficient synthesis of 4-substituted pyrazol-5-one under microwave irradiation in solvent-free conditions.	2007-11	17924363
Design, synthesis, and evaluation of orally active benzimidazoles and benzoxazoles as vascular endothelial growth factor-2 receptor tyrosine kinase inhibitors.	2007-09-06	17696416
Respiratory syncytial virus fusion inhibitors. Part 6: an examination of the effect of structural variation of the benzimidazol-2-one heterocycle moiety.	2007-09-01	17616396
[Degradation mechanism and efficiency of organic pollutants of landfill leachate in different redox zones].	2007-09	17990554
S-benzoxazolyl as a stable protecting moiety and a potent anomeric leaving group in oligosaccharide synthesis.	2007-08-31	17676919
Design, synthesis, and in vitro evaluation of carbamate derivatives of 2-benzoxazolyl- and 2-benzothiazolyl-(3-hydroxyphenyl)-methanones as novel fatty acid amide hydrolase inhibitors.	2007-08-23	17665899
Design and synthesis of highly potent and selective human peroxisome proliferator-activated receptor alpha agonists.	2007-08-15	17553678
Degenerate four-wave mixing in solution by cubic response theory and the polarizable continuum model.	2007-08-02	17628096
Regulatory molecules for the 5-HT3 receptor ion channel gating system.	2007-05-15	17391967
Potential sialyltransferase inhibitors based on neuraminyl substitution by hetaryl rings.	2007-02-26	16989791
Synthesis and mass spectrometry of benzoxazoline, dimethyloxazoline and 4-phenyloxazoline derivatives of polyunsaturated fatty acids.	2007	17551993
Fluorescence characteristics and photostability of benzoxazole derived donor-acceptor dyes in constrained media.	2006-10	16500138
Design of new benzoxazole-2-thione-derived inhibitors of Streptococcus pneumoniae hyaluronan lyase: structure of a complex with a 2-phenylindole.	2006-08	16638841
Computational studies of nucleophilic attack and protonation of electron-deficient benzoheterocycle triosmium clusters.	2006-06-26	16780317
Synthesis, anti-inflammatory, analgesic and kinase (CDK-1, CDK-5 and GSK-3) inhibition activity evaluation of benzimidazole/benzoxazole derivatives and some Schiff's bases.	2006-06-01	16480879
Thermal reactions of benzoxazole. Single pulse shock tube experiments and quantum chemical calculations.	2006-04-06	16571069
3D-QSAR study on heterocyclic topoisomerase II inhibitors using CoMSIA.	2006-04	16644553
Parallel synthesis of a library of benzoxazoles and benzothiazoles using ligand-accelerated copper-catalyzed cyclizations of ortho-halobenzanilides.	2006-03-03	16496964
[Toxicity of some benzothiazole and benzoxazole derivatives having an anthelminthic action].	2006-02-01	16445239
Synthesis and biological evaluation of novel heterocyclic quinones as inhibitors of the dual specificity protein phosphatase CDC25C.	2006-01-01	16216500
Identification of the structural requirements of the receptor-binding affinity of diphenolic azoles to estrogen receptors alpha and beta by three-dimensional quantitative structure-activity relationship and structure-activity relationship analysis.	2005-12-01	16302803
Differential solvation and tautomer stability of a model base pair within the minor and major grooves of DNA.	2005-11-09	16262427
Orally active benzoxazole derivative as 5-HT3 receptor partial agonist for treatment of diarrhea-predominant irritable bowel syndrome.	2005-11-03	16250667
Silacyclic derivatives of heteroaromatic sulfides as selective cholesterol level lowering and vasodilating agents.	2002	18476011

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:12:41 GMT 2025` Edited by `admin` on `Mon Mar 31 19:12:41 GMT 2025`
Record UNII	J233Y1I55I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-3982

Preferred Name

English

BENZOXAZOLE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID8059768