MPK
(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol
Created: | 2012-03-28 |
Last modified: | 2013-01-25 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol |
Systematic Name (OpenEye OEToolkits) | (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol |
Formula | C11 H11 N O2 |
Molecular Weight | 189.211 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1oc(c(c1c2ccccc2)CO)C |
SMILES | CACTVS | 3.370 | Cc1onc(c1CO)c2ccccc2 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(no1)c2ccccc2)CO |
Canonical SMILES | CACTVS | 3.370 | Cc1onc(c1CO)c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(no1)c2ccccc2)CO |
InChI | InChI | 1.03 | InChI=1S/C11H11NO2/c1-8-10(7-13)11(12-14-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3 |
InChIKey | InChI | 1.03 | GHGWDZCXZRWQBG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2776149 |