ISDA: 7IPR

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: VNV

IUPAC Name: 3-phenyl-1,2-oxazol-5-amine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc(-c2ccon2)cc1

InChI: InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H

InChI Key: ZBRDJMFLJXFIGJ-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C9 H8 N2 O

Molecular weight: 160.173

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 12

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	3-phenyl-1,2-oxazol-5-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChIKey	InChI	1.06	HLOHVVZZMMMDMM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1onc(c1)c2ccccc2
SMILES	CACTVS	3.385	Nc1onc(c1)c2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc(on2)N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc(on2)N

Chemical Database Mapping