MOK

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

Created:	2012-03-28
Last modified:	2013-01-25

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2 entries where MOK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of MOK

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Chemical Component Summary
Name	5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
Formula	C₁₁ H₉ N O₃
Molecular Weight	203.194
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	PENHKTNQUJMHIR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	14343
CCDC/CSD	FICLEK
COD	2311144

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.