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A1B8U

Summary
Name:3-amino-N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide
Formula:C16 H14 N4 O2
Formal charge:0
Formula weight:294.308 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-amino-N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide
OpenEye OEToolkits3.1.0.03-azanyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1cc2CNCc2cc1)c1cccc2onc(N)c12
InChIInChI1.06InChI=1S/C16H14N4O2/c17-15-14-12(2-1-3-13(14)22-20-15)16(21)19-11-5-4-9-7-18-8-10(9)6-11/h1-6,18H,7-8H2,(H2,17,20)(H,19,21)
InChIKeyInChI1.06UAVCUMCKBBBMBV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1noc2cccc(C(=O)Nc3ccc4CNCc4c3)c12
SMILESCACTVS3.385Nc1noc2cccc(C(=O)Nc3ccc4CNCc4c3)c12
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)onc2N)C(=O)Nc3ccc4c(c3)CNC4
SMILESOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)onc2N)C(=O)Nc3ccc4c(c3)CNC4

250835

PDB entries from 2026-03-18

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