U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

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

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

Molecular Formula C5H5NO3
Molecular Weight 127.0981
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.002 nM [IC50]
90.7 nM [IC50]
0.42 nM [IC50]
252.0 nM [IC50]
271.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Wed Apr 02 05:22:00 GMT 2025
Edited
by admin
on Wed Apr 02 05:22:00 GMT 2025
Record UNII
YZP807C30G
Record Status Validated (UNII)
Record Version
  • Download
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
PRIMARY
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
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE