4-(1-{[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carbonyl)morpholine

• ChemBase编号: 470871
• 分子式: C19H25N3O4
• 平均质量: 359.4195
• 单一同位素质量: 359.1845063
• SMILES: n1c(oc(c1CN1CCC(C(=O)N2CCOCC2)CC1)C)c1occc1
• Canonical SMILES: O=C(N1CCOCC1)C1CCN(CC1)Cc1nc(oc1C)c1ccco1
• InChI: InChI=1S/C19H25N3O4/c1-14-16(20-18(26-14)17-3-2-10-25-17)13-21-6-4-15(5-7-21)19(23)22-8-11-24-12-9-22/h2-3,10,15H,4-9,11-13H2,1H3
• InChIKey: WDLYYRSNTNAYIU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(1-{[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carbonyl)morpholine
• IUPAC传统名: 4-(1-{[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carbonyl)morpholine
• 别名: 4-[(1-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-piperidinyl)carbonyl]morpholine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.2838649
• LogD (pH = 7.4): 0.35767096
• Log P: 0.7176038
• 摩尔折射率: 106.5021 cm^3
• 极化性: 37.484 Å^3
• 极化表面积: 71.95 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 0.41
• LOG S: -0.87
• 极化表面积: 71.95 Å^2
• 可自由旋转的化学键: 4