1VK

(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone

Created:2014-02-21
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count22
Aromatic Bond Count11
2D diagram of 1VK

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Chemical Component Summary

Name(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone
Systematic Name (OpenEye OEToolkits)(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone
FormulaC9 H7 N3 O2
Molecular Weight189.171
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ccccc1)c2nonc2N
SMILESCACTVS3.385Nc1nonc1C(=O)c2ccccc2
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C(=O)c2c(non2)N
Canonical SMILESCACTVS3.385 Nc1nonc1C(=O)c2ccccc2
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(cc1)C(=O)c2c(non2)N
InChIInChI1.03 InChI=1S/C9H7N3O2/c10-9-7(11-14-12-9)8(13)6-4-2-1-3-5-6/h1-5H,(H2,10,12)
InChIKeyInChI1.03 FSUWRFXTSWSYPV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 142331