N,N-dimethyl-5-{[(4S)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]methyl}furan-2-carboxamide

• ChemBase编号: 697328
• 分子式: C14H20N2O4
• 平均质量: 280.3196
• 单一同位素质量: 280.14230713
• SMILES: N1(C(=O)OC[C@@H]1C(C)C)Cc1oc(C(=O)N(C)C)cc1
• Canonical SMILES: CC([C@H]1COC(=O)N1Cc1ccc(o1)C(=O)N(C)C)C
• InChI: InChI=1S/C14H20N2O4/c1-9(2)11-8-19-14(18)16(11)7-10-5-6-12(20-10)13(17)15(3)4/h5-6,9,11H,7-8H2,1-4H3/t11-/m1/s1
• InChIKey: FUCIHEUJWWPYNU-LLVKDONJSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-5-{[(4S)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]methyl}furan-2-carboxamide
• IUPAC传统名: 5-{[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]methyl}-N,N-dimethylfuran-2-carboxamide
• 别名: 5-{[(4S)-4-isopropyl-2-oxo-1,3-oxazolidin-3-yl]methyl}-N,N-dimethyl-2-furamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.1716136
• LogD (pH = 7.4): 1.1716136
• Log P: 1.1716136
• 摩尔折射率: 73.0811 cm^3
• 极化性: 27.856096 Å^3
• 极化表面积: 62.99 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.0
• LOG S: -2.1
• 极化表面积: 62.99 Å^2
• 可自由旋转的化学键: 4