8S7
概要
| 表記: | N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide |
| 組成式: | C8 H10 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 166.177 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-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide |
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(c1cc(C)no1)C(C2CC2)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H10N2O2/c1-5-4-7(12-10-5)9-8(11)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,11) |
| InChIKey | InChI | 1.03 | ICIVRYAXFYPMRV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(NC(=O)C2CC2)on1 |
| SMILES | CACTVS | 3.385 | Cc1cc(NC(=O)C2CC2)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(on1)NC(=O)C2CC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(on1)NC(=O)C2CC2 |
