A1B05
Summary
| Name: | 2-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2H-1,2,3-triazole-4-carboxamide |
| Formula: | C9 H11 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 221.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2H-1,2,3-triazole-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 2-methyl-~{N}-[2-(1,3-oxazol-4-yl)ethyl]-1,2,3-triazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cn1ncc(n1)C(=O)NCCc1cocn1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11N5O2/c1-14-12-4-8(13-14)9(15)10-3-2-7-5-16-6-11-7/h4-6H,2-3H2,1H3,(H,10,15) |
| InChIKey | InChI | 1.06 | PBFVVICHKJKWIA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(n1)C(=O)NCCc2cocn2 |
| SMILES | CACTVS | 3.385 | Cn1ncc(n1)C(=O)NCCc2cocn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1ncc(n1)C(=O)NCCc2cocn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1ncc(n1)C(=O)NCCc2cocn2 |
