MOK
Summary
| Name: | 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid |
| Formula: | C11 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 203.194 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| 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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2c(onc2c1ccccc1)C |
| 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 |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1onc(c2ccccc2)c1C(O)=O |
| SMILES | CACTVS | 3.370 | Cc1onc(c2ccccc2)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(no1)c2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(no1)c2ccccc2)C(=O)O |
