ISDA: 6Q0Z

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: P7V

IUPAC Name: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc(-c2ncco2)cc1

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

InChI Key: RQCBPOPQTLHDFC-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C10 H7 Br N2 O3

Molecular weight: 283.078

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 2

Rotatable Bonds: 3

Heavy Atoms: 16

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide
OpenEye OEToolkits	2.0.7	2-(4-bromophenyl)-~{N}-oxidanyl-1,3-oxazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c2coc(c1ccc(Br)cc1)n2)(NO)=O
InChI	InChI	1.03	InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
InChIKey	InChI	1.03	KHPRTOQUGAUDCM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)c1coc(n1)c2ccc(Br)cc2
SMILES	CACTVS	3.385	ONC(=O)c1coc(n1)c2ccc(Br)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nc(co2)C(=O)NO)Br
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nc(co2)C(=O)NO)Br

Chemical Database Mapping