Q4U
概要
| 表記: | N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide |
| 組成式: | C9 H14 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 182.22 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 | N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N},~{N}-diethyl-3-methyl-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 | O=C(N(CC)CC)c1cc(C)no1 |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O2/c1-4-11(5-2)9(12)8-6-7(3)10-13-8/h6H,4-5H2,1-3H3 |
| InChIKey | InChI | 1.03 | VJHBSTACGXETFD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)C(=O)c1onc(C)c1 |
| SMILES | CACTVS | 3.385 | CCN(CC)C(=O)c1onc(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)C(=O)c1cc(no1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)C(=O)c1cc(no1)C |
