Chemical Components in the PDB

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MOK : Summary

Code

MOK

One-letter code

X

Molecule name

5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
OpenEye OEToolkits 1.7.6 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid

Formula

C11 H9 N O3

Formal charge

0

Molecular weight

203.194 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)c2c(onc2c1ccccc1)C
SMILES CACTVS 3.370 Cc1onc(c2ccccc2)c1C(O)=O
SMILES OpenEye OEToolkits 1.7.6 Cc1c(c(no1)c2ccccc2)C(=O)O
Canonical SMILES CACTVS 3.370 Cc1onc(c2ccccc2)c1C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1c(c(no1)c2ccccc2)C(=O)O

IUPAC InChI

InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

IUPAC InChI key

PENHKTNQUJMHIR-UHFFFAOYSA-N
MOK

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-03-28

Last modified at

2013-01-25

Status

Released

Obsoleted

Not Assigned