1VE

(4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone

Created:2014-02-18
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count41
Aromatic Bond Count21
2D diagram of 1VE

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Chemical Component Summary

Name(4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone
Systematic Name (OpenEye OEToolkits)(4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone
FormulaC17 H13 N5 O3
Molecular Weight335.317
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c3cccc(OCc2nc1ccccc1n2)c3)c4nonc4N
SMILESCACTVS3.385Nc1nonc1C(=O)c2cccc(OCc3[nH]c4ccccc4n3)c2
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N
Canonical SMILESCACTVS3.385 Nc1nonc1C(=O)c2cccc(OCc3[nH]c4ccccc4n3)c2
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N
InChIInChI1.03 InChI=1S/C17H13N5O3/c18-17-15(21-25-22-17)16(23)10-4-3-5-11(8-10)24-9-14-19-12-6-1-2-7-13(12)20-14/h1-8H,9H2,(H2,18,22)(H,19,20)
InChIKeyInChI1.03 BVOFVPANMGREFZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 73386680