Chemical Components in the PDB

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5C1 : Summary

Code

5C1

One-letter code

X

Molecule name

5-(2-chlorophenyl)-N-hydroxy-1,3-oxazole-2-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 5-(2-chlorophenyl)-N-hydroxy-1,3-oxazole-2-carboxamide
OpenEye OEToolkits 1.7.2 5-(2-chlorophenyl)-N-oxidanyl-1,3-oxazole-2-carboxamide

Formula

C10 H7 Cl N2 O3

Formal charge

0

Molecular weight

238.627 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ncc(o1)c2c(Cl)cccc2)NO
SMILES CACTVS 3.370 ONC(=O)c1oc(cn1)c2ccccc2Cl
SMILES OpenEye OEToolkits 1.7.2 c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl
Canonical SMILES CACTVS 3.370 ONC(=O)c1oc(cn1)c2ccccc2Cl
Canonical SMILES OpenEye OEToolkits 1.7.2 c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl

IUPAC InChI

InChI=1S/C10H7ClN2O3/c11-7-4-2-1-3-6(7)8-5-12-10(16-8)9(14)13-15/h1-5,15H,(H,13,14)

IUPAC InChI key

OZEMICSCADZYKS-UHFFFAOYSA-N
5C1

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

2011-11-10

Last modified at

2012-06-08

Status

Released

Obsoleted

Not Assigned