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FO5

Summary
Name:3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile
Formula:C14 H14 N4 O2 S
Formal charge:0
Formula weight:302.352 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile
OpenEye OEToolkits1.7.23-oxidanylidene-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#CCC(=O)N3CCC(c1onc(n1)c2sccc2)CC3
InChIInChI1.03InChI=1S/C14H14N4O2S/c15-6-3-12(19)18-7-4-10(5-8-18)14-16-13(17-20-14)11-2-1-9-21-11/h1-2,9-10H,3-5,7-8H2
InChIKeyInChI1.03SSTGJZVDCOEUFG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O=C(CC#N)N1CCC(CC1)c2onc(n2)c3sccc3
SMILESCACTVS3.370O=C(CC#N)N1CCC(CC1)c2onc(n2)c3sccc3
SMILES_CANONICALOpenEye OEToolkits1.7.2c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N
SMILESOpenEye OEToolkits1.7.2c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N

217705

PDB entries from 2024-03-27

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