A1CYB
Summary
| Name: | 3-ethyl-5-methyl-4-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole |
| Formula: | C11 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 205.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-ethyl-5-methyl-4-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole |
| OpenEye OEToolkits | 3.1.0.0 | 3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CCc1noc(C)c1Cn1ccc(C)n1 |
| InChI | InChI | 1.06 | InChI=1S/C11H15N3O/c1-4-11-10(9(3)15-13-11)7-14-6-5-8(2)12-14/h5-6H,4,7H2,1-3H3 |
| InChIKey | InChI | 1.06 | ONVCGJKKLHRQQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1noc(C)c1Cn2ccc(C)n2 |
| SMILES | CACTVS | 3.385 | CCc1noc(C)c1Cn2ccc(C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCc1c(c(on1)C)Cn2ccc(n2)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCc1c(c(on1)C)Cn2ccc(n2)C |
