5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-N,N-dimethylfuran-2-carboxamide

• ChemBase编号: 659128
• 分子式: C13H16N2O5
• 平均质量: 280.27654
• 单一同位素质量: 280.10592162
• SMILES: N1(C(=O)OC(C1=O)(C)C)Cc1oc(C(=O)N(C)C)cc1
• Canonical SMILES: O=C(c1ccc(o1)CN1C(=O)OC(C1=O)(C)C)N(C)C
• InChI: InChI=1S/C13H16N2O5/c1-13(2)11(17)15(12(18)20-13)7-8-5-6-9(19-8)10(16)14(3)4/h5-6H,7H2,1-4H3
• InChIKey: DVUIXBZZGGUPPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-N,N-dimethylfuran-2-carboxamide
• IUPAC传统名: 5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-N,N-dimethylfuran-2-carboxamide
• 别名: 5-[(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-N,N-dimethyl-2-furamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.50685966
• LogD (pH = 7.4): 0.50685966
• Log P: 0.50685966
• 摩尔折射率: 68.953 cm^3
• 极化性: 26.174946 Å^3
• 极化表面积: 80.06 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.33
• LOG S: -2.84
• 极化表面积: 80.06 Å^2
• 可自由旋转的化学键: 3