Chemical Components in the PDB

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1A5 : Summary

Code

1A5

One-letter code

X

Molecule name

4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
OpenEye OEToolkits 1.7.6 4-(2-oxidanylidene-1,3-oxazolidin-3-yl)benzamide

Formula

C10 H10 N2 O3

Formal charge

0

Molecular weight

206.198 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c2ccc(N1C(=O)OCC1)cc2)N
SMILES CACTVS 3.370 NC(=O)c1ccc(cc1)N2CCOC2=O
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(=O)N)N2CCOC2=O
Canonical SMILES CACTVS 3.370 NC(=O)c1ccc(cc1)N2CCOC2=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(=O)N)N2CCOC2=O

IUPAC InChI

InChI=1S/C10H10N2O3/c11-9(13)7-1-3-8(4-2-7)12-5-6-15-10(12)14/h1-4H,5-6H2,(H2,11,13)

IUPAC InChI key

JCCXXVVOGZSZPQ-UHFFFAOYSA-N
1A5

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-11-15

Last modified at

2013-03-29

Status

Released

Obsoleted

Not Assigned