methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}amine

• ChemBase编号: 843855
• 分子式: C24H26N4O
• 平均质量: 386.48944
• 单一同位素质量: 386.21066147
• SMILES: n1c(c(oc1c1ccc(cc1)c1ccccc1)C)CN(CCn1c(ncc1)C)C
• Canonical SMILES: CN(Cc1nc(oc1C)c1ccc(cc1)c1ccccc1)CCn1ccnc1C
• InChI: InChI=1S/C24H26N4O/c1-18-23(17-27(3)15-16-28-14-13-25-19(28)2)26-24(29-18)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-14H,15-17H2,1-3H3
• InChIKey: UFKOJYPBAZALQT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]{[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl}amine
• IUPAC传统名: methyl({[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl})[2-(2-methylimidazol-1-yl)ethyl]amine
• 别名: N-{[2-(4-biphenylyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-methyl-2-(2-methyl-1H-imidazol-1-yl)ethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.9803231
• LogD (pH = 7.4): 3.3113143
• Log P: 3.8395545
• 摩尔折射率: 126.5566 cm^3
• 极化性: 46.351273 Å^3
• 极化表面积: 47.09 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 4.13
• LOG S: -5.25
• 极化表面积: 47.09 Å^2
• 可自由旋转的化学键: 7