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Details

Stereochemistry ACHIRAL
Molecular Formula C14H12ClN3O2
Molecular Weight 289.717
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[4-(5-chloro-2,1-benzoxazol-3-yl)-3,5-dimethyl-1H-pyrazol-1-yl]ethan-1-one

SMILES

CC(=O)N1N=C(C)C(=C1C)C2=C3C=C(Cl)C=CC3=NO2

InChI

InChIKey=RNPSGZSUQLQRQC-UHFFFAOYSA-N
InChI=1S/C14H12ClN3O2/c1-7-13(8(2)18(16-7)9(3)19)14-11-6-10(15)4-5-12(11)17-20-14/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula C14H12ClN3O2
Molecular Weight 289.717
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:35:24 GMT 2025
Edited
by admin
on Tue Apr 01 19:35:24 GMT 2025
Record UNII
UW5SRZ2N35
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[4-(5-chloro-2,1-benzoxazol-3-yl)-3,5-dimethyl-1H-pyrazol-1-yl]ethan-1-one
Systematic Name English
NSC-285678
Preferred Name English
1-[4-(5-Chloro-2,1-benzisoxazol-3-yl)-3,5-dimethyl-1H-pyrazol-1-yl]ethanone
Systematic Name English
Ethanone, 1-[4-(5-chloro-2,1-benzisoxazol-3-yl)-3,5-dimethyl-1H-pyrazol-1-yl]-
Systematic Name English
1H-PYRAZOLE, 1-ACETYL-4-(5-CHLORO-2,1-BENZISOXAZOL-3-YL)-3,5-DIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
60354-20-3
Created by admin on Tue Apr 01 19:35:24 GMT 2025 , Edited by admin on Tue Apr 01 19:35:24 GMT 2025
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PUBCHEM
323642
Created by admin on Tue Apr 01 19:35:24 GMT 2025 , Edited by admin on Tue Apr 01 19:35:24 GMT 2025
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EPA CompTox
DTXSID50209127
Created by admin on Tue Apr 01 19:35:24 GMT 2025 , Edited by admin on Tue Apr 01 19:35:24 GMT 2025
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FDA UNII
UW5SRZ2N35
Created by admin on Tue Apr 01 19:35:24 GMT 2025 , Edited by admin on Tue Apr 01 19:35:24 GMT 2025
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NSC
285678
Created by admin on Tue Apr 01 19:35:24 GMT 2025 , Edited by admin on Tue Apr 01 19:35:24 GMT 2025
PRIMARY