[(3-methoxyphenyl)methyl](methyl){[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}amine

• ChemBase编号: 601708
• 分子式: C24H24N2O2
• 平均质量: 372.45956
• 单一同位素质量: 372.18377802
• SMILES: c1(nc(c(o1)C)CN(Cc1cc(OC)ccc1)C)c1c2c(ccc1)cccc2
• Canonical SMILES: COc1cccc(c1)CN(Cc1nc(oc1C)c1cccc2c1cccc2)C
• InChI: InChI=1S/C24H24N2O2/c1-17-23(16-26(2)15-18-8-6-11-20(14-18)27-3)25-24(28-17)22-13-7-10-19-9-4-5-12-21(19)22/h4-14H,15-16H2,1-3H3
• InChIKey: IAVPVDJSLAVAAR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(3-methoxyphenyl)methyl](methyl){[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}amine
• IUPAC传统名: [(3-methoxyphenyl)methyl](methyl){[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}amine
• 别名: (3-methoxybenzyl)methyl{[5-methyl-2-(1-naphthyl)-1,3-oxazol-4-yl]methyl}amine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.0485058
• LogD (pH = 7.4): 4.518658
• Log P: 4.718616
• 摩尔折射率: 122.5652 cm^3
• 极化性: 45.11125 Å^3
• 极化表面积: 38.5 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: 0
• Log P: 4.83
• LOG S: -4.11
• 极化表面积: 38.5 Å^2
• 可自由旋转的化学键: 5