ZO9

4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

Created:	2013-08-22
Last modified:	2014-09-05

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1 entries where ZO9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	15

2D diagram of ZO9

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Chemical Component Summary
Name	4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
Systematic Name (OpenEye OEToolkits)	4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
Formula	C₁₃ H₁₃ N₅ O
Molecular Weight	255.275
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1onc(N)c1c2nc4c(n2CC3CC3)cccc4
SMILES	CACTVS	3.385	Nc1nonc1c2nc3ccccc3n2CC4CC4
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N
Canonical SMILES	CACTVS	3.385	Nc1nonc1c2nc3ccccc3n2CC4CC4
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N
InChI	InChI	1.03	InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)
InChIKey	InChI	1.03	LLDVRUBUBPSOMY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1078930
PubChem	607858
ChEMBL	CHEMBL1078930

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.