Chemical Components in the PDB

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P7V : Summary

Code

P7V

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
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

Formula

C10 H7 Br N2 O3

Formal charge

0

Molecular weight

283.078 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(c2coc(c1ccc(Br)cc1)n2)(NO)=O
SMILES CACTVS 3.385 ONC(=O)c1coc(n1)c2ccc(Br)cc2
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1c2nc(co2)C(=O)NO)Br
Canonical SMILES CACTVS 3.385 ONC(=O)c1coc(n1)c2ccc(Br)cc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1c2nc(co2)C(=O)NO)Br

IUPAC InChI

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)

IUPAC InChI key

KHPRTOQUGAUDCM-UHFFFAOYSA-N
P7V

wwPDB Information

Atom count

23 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-06

Last modified at

2020-01-31

Status

Released

Obsoleted

Not Assigned