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1ZC : Summary

Code

1ZC

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
ACDLabs 12.01 (4-amino-1,2,5-oxadiazol-3-yl)(3-methoxyphenyl)methanone
OpenEye OEToolkits 1.9.2 (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone

Formula

C10 H9 N3 O3

Formal charge

0

Molecular weight

219.197 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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)

IUPAC InChI key

SIOKNPJSYPBGMD-UHFFFAOYSA-N
1ZC

wwPDB Information

Atom count

25 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-02-27

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned