N,N-dimethyl-2-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]acetamide

• ChemBase编号: 667830
• 分子式: C15H20N4O2
• 平均质量: 288.3449
• 单一同位素质量: 288.1586259
• SMILES: c1(oc(nn1)CCC)NC(C(=O)N(C)C)c1ccccc1
• Canonical SMILES: CCCc1nnc(o1)NC(C(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C15H20N4O2/c1-4-8-12-17-18-15(21-12)16-13(14(20)19(2)3)11-9-6-5-7-10-11/h5-7,9-10,13H,4,8H2,1-3H3,(H,16,18)
• InChIKey: KWOOQLDOURDLSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]acetamide
• IUPAC传统名: N,N-dimethyl-2-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]acetamide
• 别名: N,N-dimethyl-2-phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]acetamide

理论计算性质

JChem

• Acid pKa: 6.0880737
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.340375
• LogD (pH = 7.4): 0.40777463
• Log P: 1.4347051
• 摩尔折射率: 82.3774 cm^3
• 极化性: 30.203869 Å^3
• 极化表面积: 71.26 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 1.74
• LOG S: -2.79
• 极化表面积: 71.26 Å^2
• 可自由旋转的化学键: 6