FO5

3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile

Created:2011-09-13
Last modified:  2011-09-13

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count37
Aromatic Bond Count10
2D diagram of FO5

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Chemical Component Summary

Name3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile
Systematic Name (OpenEye OEToolkits)3-oxidanylidene-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanenitrile
FormulaC14 H14 N4 O2 S
Molecular Weight302.352
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#CCC(=O)N3CCC(c1onc(n1)c2sccc2)CC3
SMILESCACTVS3.370O=C(CC#N)N1CCC(CC1)c2onc(n2)c3sccc3
SMILESOpenEye OEToolkits1.7.2c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N
Canonical SMILESCACTVS3.370 O=C(CC#N)N1CCC(CC1)c2onc(n2)c3sccc3
Canonical SMILESOpenEye OEToolkits1.7.2 c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N
InChIInChI1.03 InChI=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
InChIKeyInChI1.03 SSTGJZVDCOEUFG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 24804431
ChEMBL CHEMBL1773781
CCDC/CSD QIJQAD