Chemical Components in the PDB

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0NX : Summary

Code

0NX

One-letter code

X

Molecule name

(5-phenyl-1,2-oxazol-3-yl)methanol

Systematic names

ProgramVersionName
ACDLabs 12.01 (5-phenyl-1,2-oxazol-3-yl)methanol
OpenEye OEToolkits 1.7.6 (5-phenyl-1,2-oxazol-3-yl)methanol

Formula

C10 H9 N O2

Formal charge

0

Molecular weight

175.184 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCc2noc(c1ccccc1)c2
SMILES CACTVS 3.370 OCc1cc(on1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2cc(no2)CO
Canonical SMILES CACTVS 3.370 OCc1cc(on1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2cc(no2)CO

IUPAC InChI

InChI=1S/C10H9NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-6,12H,7H2

IUPAC InChI key

BPAFLGGUEBMWRN-UHFFFAOYSA-N
0NX

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-03-27

Last modified at

2013-01-25

Status

Released

Obsoleted

Not Assigned