A1BUA
Summary
| Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide |
| Formula: | C14 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 248.321 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1onc(C)c1C(=O)NCCC1=CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C14H20N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-9H2,1-2H3,(H,15,17) |
| InChIKey | InChI | 1.06 | CDMDKICUIFSGRO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1C(=O)NCCC2=CCCCC2 |
| SMILES | CACTVS | 3.385 | Cc1onc(C)c1C(=O)NCCC2=CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(on1)C)C(=O)NCCC2=CCCCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(c(on1)C)C(=O)NCCC2=CCCCC2 |
