A1AY7
Summary
| Name: | (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol |
| Formula: | C11 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 189.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol |
| OpenEye OEToolkits | 2.0.7 | (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCc1c(onc1C)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H11NO2/c1-8-10(7-13)11(14-12-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3 |
| InChIKey | InChI | 1.06 | KVWBXAICROMJFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1noc(c1CO)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Cc1noc(c1CO)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(on1)c2ccccc2)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(on1)c2ccccc2)CO |
