Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1CJH

Summary
Name:3-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}prop-2-ynoic acid
Formula:C14 H10 N2 O4
Formal charge:0
Formula weight:270.24 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}prop-2-ynoic acid
OpenEye OEToolkits3.1.0.03-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]phenyl]prop-2-ynoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)O)ccc1
InChIInChI1.06InChI=1S/C14H10N2O4/c1-9-7-12(16-20-9)14(19)15-11-4-2-3-10(8-11)5-6-13(17)18/h2-4,7-8H,1H3,(H,15,19)(H,17,18)
InChIKeyInChI1.06BOLNIAQMQMMEAF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1onc(c1)C(=O)Nc2cccc(c2)C#CC(O)=O
SMILESCACTVS3.385Cc1onc(c1)C(=O)Nc2cccc(c2)C#CC(O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)O
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)O

251422

PDB entries from 2026-04-01

PDB statisticsPDBj update infoContact PDBjnumon