IRX
Summary
| Name: | 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide |
| Formula: | C19 H23 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 341.404 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-~{N}-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H23N3O3/c1-14-17(21-19(25-14)15-8-4-2-5-9-15)18(24)20-11-13-22-12-7-3-6-10-16(22)23/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,20,24) |
| InChIKey | InChI | 1.06 | QHOJMCXWPJSDFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nc1C(=O)NCCN2CCCCCC2=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Cc1oc(nc1C(=O)NCCN2CCCCCC2=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)c2ccccc2)C(=O)NCCN3CCCCCC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)c2ccccc2)C(=O)NCCN3CCCCCC3=O |
