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SummaryGeometryRelated PDB entries

A1CGC

Summary
Name:(2E)-3-(pyridin-4-yl)-N-[2-(pyridin-2-yl)-1,3-benzoxazol-5-yl]prop-2-enamide
Formula:C20 H14 N4 O2
Formal charge:0
Formula weight:342.351 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(2E)-3-(pyridin-4-yl)-N-[2-(pyridin-2-yl)-1,3-benzoxazol-5-yl]prop-2-enamide
OpenEye OEToolkits3.1.0.0(~{E})-3-pyridin-4-yl-~{N}-(2-pyridin-2-yl-1,3-benzoxazol-5-yl)prop-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(/C=C/c1ccncc1)Nc1cc2nc(oc2cc1)c1ccccn1
InChIInChI1.06InChI=1S/C20H14N4O2/c25-19(7-4-14-8-11-21-12-9-14)23-15-5-6-18-17(13-15)24-20(26-18)16-3-1-2-10-22-16/h1-13H,(H,23,25)/b7-4+
InChIKeyInChI1.06YTYCOCGXXYZNCR-QPJJXVBHSA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1ccc2oc(nc2c1)c3ccccn3)/C=C/c4ccncc4
SMILESCACTVS3.385O=C(Nc1ccc2oc(nc2c1)c3ccccn3)C=Cc4ccncc4
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccnc(c1)c2nc3cc(ccc3o2)NC(=O)/C=C/c4ccncc4
SMILESOpenEye OEToolkits3.1.0.0c1ccnc(c1)c2nc3cc(ccc3o2)NC(=O)C=Cc4ccncc4

248636

PDB entries from 2026-02-04

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