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A1BH7

Summary
Name:methyl 4-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}butanoate
Formula:C16 H18 N2 O4
Formal charge:0
Formula weight:302.325 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52methyl 4-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}butanoate
OpenEye OEToolkits3.1.0.0methyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]phenyl]butanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1cc(no1)C(=O)Nc1cc(CCCC(=O)OC)ccc1
InChIInChI1.06InChI=1S/C16H18N2O4/c1-11-9-14(18-22-11)16(20)17-13-7-3-5-12(10-13)6-4-8-15(19)21-2/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,17,20)
InChIKeyInChI1.06QXRDFNLRULOJRX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)CCCc1cccc(NC(=O)c2cc(C)on2)c1
SMILESCACTVS3.385COC(=O)CCCc1cccc(NC(=O)c2cc(C)on2)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc(no1)C(=O)Nc2cccc(c2)CCCC(=O)OC
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(no1)C(=O)Nc2cccc(c2)CCCC(=O)OC

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PDB entries from 2026-03-25

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