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SummaryGeometryRelated PDB entries

N07

Summary
Name:[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone
Formula:C21 H21 N3 O2
Formal charge:0
Formula weight:347.41 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone
OpenEye OEToolkits2.0.7[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-yl-methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
InChIInChI1.03InChI=1S/C21H21N3O2/c1-15-22-23-20(26-15)18-9-5-7-16(13-18)17-8-6-10-19(14-17)21(25)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyInChI1.03IKHAJTCUSZHKAO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
SMILESCACTVS3.385Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4
SMILESOpenEye OEToolkits2.0.7Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4

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PDB entries from 2024-07-17

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