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

• ChemBase编号: 825277
• 分子式: C17H18N2O4
• 平均质量: 314.33582
• 单一同位素质量: 314.12665707
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)Cc1oc(C(=O)N(C)C)cc1
• Canonical SMILES: O=C1OC[C@@H](N1Cc1ccc(o1)C(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C17H18N2O4/c1-18(2)16(20)15-9-8-13(23-15)10-19-14(11-22-17(19)21)12-6-4-3-5-7-12/h3-9,14H,10-11H2,1-2H3/t14-/m1/s1
• InChIKey: QVLRQCOTUXKOIU-CQSZACIVSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.6517835
• LogD (pH = 7.4): 1.6517835
• Log P: 1.6517835
• 摩尔折射率: 83.9495 cm^3
• 极化性: 31.883139 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: 1.33
• LOG S: -2.63
• 极化表面积: 62.99 Å^2
• 可自由旋转的化学键: 4