3-CARBOXY-5-METHYLISOXAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H5NO3
Molecular Weight	127.0981
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-CARBOXY-5-METHYLISOXAZOLE

Structure Search

SMILES

CC1=CC(=NO1)C(O)=O

InChI

InChIKey=BNMPIJWVMVNSRD-UHFFFAOYSA-N

InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Potency
Histone deacetylase 6 28 Target ID: CHEMBL1865 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18642892	Inhibitor 8504	0.002 nM [IC50]
Histone deacetylase 10 9 Target ID: CHEMBL5103 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18642892	Inhibitor 8504	90.7 nM [IC50]
Histone deacetylase 3 35 Target ID: CHEMBL1829 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18642892	Inhibitor 8504	0.42 nM [IC50]
Histone deacetylase 2 37 Target ID: CHEMBL1937 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18642892	Inhibitor 8504	252.0 nM [IC50]
Histone deacetylase 1 51 Target ID: CHEMBL325 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18642892	Inhibitor 8504	271.0 nM [IC50]

Name

Type

Language

3-CARBOXY-5-METHYLISOXAZOLE

Systematic Name

English

ISOX

Preferred Name

English

3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-

Systematic Name

English

5-METHYL-3-ISOXAZOLECARBOXYLIC ACID

Systematic Name

English

5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

222-289-4

Created by admin on Wed Apr 02 05:22:00 GMT 2025 , Edited by admin on Wed Apr 02 05:22:00 GMT 2025

PRIMARY

FDA UNII

YZP807C30G

Created by admin on Wed Apr 02 05:22:00 GMT 2025 , Edited by admin on Wed Apr 02 05:22:00 GMT 2025

PRIMARY

CAS

3405-77-4

Created by admin on Wed Apr 02 05:22:00 GMT 2025 , Edited by admin on Wed Apr 02 05:22:00 GMT 2025

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PUBCHEM

76947

Created by admin on Wed Apr 02 05:22:00 GMT 2025 , Edited by admin on Wed Apr 02 05:22:00 GMT 2025

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PARENT (METABOLITE ACTIVE)


					BL421NQ9XM

3-ISOXAZOLECARBOXAMIDE, N-(2,4-DICHLOROPHENYL)-5-METHYL-

SUBSTANCE RECORD


					YZP807C30G

3-CARBOXY-5-METHYLISOXAZOLE