2-(6-methoxynaphthalen-2-yl)-4-(5-propyl-1,2-oxazole-3-carbonyl)morpholine

• ChemBase编号: 440710
• 分子式: C22H24N2O4
• 平均质量: 380.43696
• 单一同位素质量: 380.17360726
• SMILES: c1(C(=O)N2CC(c3cc4c(cc(cc4)OC)cc3)OCC2)noc(c1)CCC
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C22H24N2O4/c1-3-4-19-13-20(23-28-19)22(25)24-9-10-27-21(14-24)17-6-5-16-12-18(26-2)8-7-15(16)11-17/h5-8,11-13,21H,3-4,9-10,14H2,1-2H3
• InChIKey: PIWZUJCZNVUSEM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(6-methoxynaphthalen-2-yl)-4-(5-propyl-1,2-oxazole-3-carbonyl)morpholine
• IUPAC传统名: 2-(6-methoxynaphthalen-2-yl)-4-(5-propyl-1,2-oxazole-3-carbonyl)morpholine
• 别名: 2-(6-methoxy-2-naphthyl)-4-[(5-propylisoxazol-3-yl)carbonyl]morpholine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.5858316
• LogD (pH = 7.4): 3.5858316
• Log P: 3.5858316
• 摩尔折射率: 106.5452 cm^3
• 极化性: 41.532578 Å^3
• 极化表面积: 64.8 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.48
• LOG S: -4.09
• 极化表面积: 64.8 Å^2
• 可自由旋转的化学键: 5