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MOK : Summary
Code
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MOK
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One-letter code
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X
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Molecule name
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5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
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Systematic names
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Formula
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C11 H9 N O3
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Formal charge
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0
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Molecular weight
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203.194 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)c2c(onc2c1ccccc1)C |
SMILES
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CACTVS |
3.370 |
Cc1onc(c2ccccc2)c1C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1c(c(no1)c2ccccc2)C(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
Cc1onc(c2ccccc2)c1C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1c(c(no1)c2ccccc2)C(=O)O |
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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 |
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wwPDB Information |
Atom count
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24 (15 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2012-03-28
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Last modified at
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2013-01-25
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Status
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Released
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Obsoleted
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Not Assigned
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