8AK
概要
表記: | N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide |
組成式: | C11 H16 N2 O2 |
電荷: | 0 |
化学式量: | 208.257 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-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-5-methyl-~{N}-propan-2-yl-1,2-oxazole-3-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 | Cc1cc(no1)C(=O)N(C1CC1)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C11H16N2O2/c1-7(2)13(9-4-5-9)11(14)10-6-8(3)15-12-10/h6-7,9H,4-5H2,1-3H3 |
InChIKey | InChI | 1.03 | KOQGLXMVOJEOLV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N(C1CC1)C(=O)c2cc(C)on2 |
SMILES | CACTVS | 3.385 | CC(C)N(C1CC1)C(=O)c2cc(C)on2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(no1)C(=O)N(C2CC2)C(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(no1)C(=O)N(C2CC2)C(C)C |