O8G

1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine

Created:2010-08-05
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count11
2D diagram of O8G

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Chemical Component Summary

Name1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
Synonyms2-azido-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
Systematic Name (OpenEye OEToolkits)2-azido-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
FormulaC13 H14 N6 O2 S
Molecular Weight318.354
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[N-]=[N+]=N\CC(=O)N3CCC(c1onc(n1)c2sccc2)CC3
SMILESCACTVS3.370[N-]=[N+]=NCC(=O)N1CCC(CC1)c2onc(n2)c3sccc3
SMILESOpenEye OEToolkits1.7.0c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-]
Canonical SMILESCACTVS3.370 [N-]=[N+]=NCC(=O)N1CCC(CC1)c2onc(n2)c3sccc3
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-]
InChIInChI1.03 InChI=1S/C13H14N6O2S/c14-18-15-8-11(20)19-5-3-9(4-6-19)13-16-12(17-21-13)10-2-1-7-22-10/h1-2,7,9H,3-6,8H2
InChIKeyInChI1.03 RJFYHVFZGWNOBV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 24802759
ChEMBL CHEMBL1234900