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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1 entries where 1VE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	21

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
Formula	C₁₇ H₁₃ N₅ O₃
Molecular Weight	335.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c3cccc(OCc2nc1ccccc1n2)c3)c4nonc4N
SMILES	CACTVS	3.385	Nc1nonc1C(=O)c2cccc(OCc3[nH]c4ccccc4n3)c2
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N
Canonical SMILES	CACTVS	3.385	Nc1nonc1C(=O)c2cccc(OCc3[nH]c4ccccc4n3)c2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	BVOFVPANMGREFZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73386680

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