K0M
概要
| 表記: | 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide |
| 組成式: | C9 H10 N4 O2 |
| 電荷: | 0 |
| 化学式量: | 206.201 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 3-methyl-~{N}-(1-methylpyrazol-3-yl)-1,2-oxazole-5-carboxamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N(c1nn(cc1)C)C(c2onc(C)c2)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14) |
| InChIKey | InChI | 1.03 | DMCIRIFKONIQNK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(NC(=O)c2onc(C)c2)n1 |
| SMILES | CACTVS | 3.385 | Cn1ccc(NC(=O)c2onc(C)c2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(on1)C(=O)Nc2ccn(n2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(on1)C(=O)Nc2ccn(n2)C |
