A1DOQ
Summary
| Name: | 5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide |
| Formula: | C10 H10 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 222.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-methyl-~{N}-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1cccs1)c1cc(C)on1 |
| InChI | InChI | 1.06 | InChI=1S/C10H10N2O2S/c1-7-5-9(12-14-7)10(13)11-6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,11,13) |
| InChIKey | InChI | 1.06 | MIFAGBVWVHQZST-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(c1)C(=O)NCc2sccc2 |
| SMILES | CACTVS | 3.385 | Cc1onc(c1)C(=O)NCc2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(no1)C(=O)NCc2cccs2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(no1)C(=O)NCc2cccs2 |
