1ZC

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

Created:	2014-02-27
Last modified:	2014-09-05

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1 entries where 1ZC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of 1ZC

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Chemical Component Summary
Name	(4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone
Systematic Name (OpenEye OEToolkits)	(4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone
Formula	C₁₀ H₉ N₃ O₃
Molecular Weight	219.197
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cccc(OC)c1)c2nonc2N
SMILES	CACTVS	3.385	COc1cccc(c1)C(=O)c2nonc2N
SMILES	OpenEye OEToolkits	1.9.2	COc1cccc(c1)C(=O)c2c(non2)N
Canonical SMILES	CACTVS	3.385	COc1cccc(c1)C(=O)c2nonc2N
Canonical SMILES	OpenEye OEToolkits	1.9.2	COc1cccc(c1)C(=O)c2c(non2)N
InChI	InChI	1.03	InChI=1S/C10H9N3O3/c1-15-7-4-2-3-6(5-7)9(14)8-10(11)13-16-12-8/h2-5H,1H3,(H2,11,13)
InChIKey	InChI	1.03	SIOKNPJSYPBGMD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73386682

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