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

• ChemBase ID: 700196
• Molecular Formular: C21H26N2O2
• Molecular Mass: 338.44334
• Monoisotopic Mass: 338.19942808
• SMILES: c1(nc(c(o1)C)CN(CC(C)C)C)c1c2c(c(cc1)OC)cccc2
• Canonical SMILES: COc1ccc(c2c1cccc2)c1nc(c(o1)C)CN(CC(C)C)C
• InChI: InChI=1S/C21H26N2O2/c1-14(2)12-23(4)13-19-15(3)25-21(22-19)18-10-11-20(24-5)17-9-7-6-8-16(17)18/h6-11,14H,12-13H2,1-5H3
• InChIKey: WPHKBFUYNLBDDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)(2-methylpropyl)amine
• IUPAC Traditional name: {[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)(2-methylpropyl)amine
• Synonyms: N-{[2-(4-methoxy-1-naphthyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N,2-dimethyl-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4872205
• LogD (pH = 7.4): 3.2564955
• Log P: 4.238446
• Molar Refractivity: 111.6968 cm^3
• Polarizability: 41.017296 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.62
• LOG S: -3.79
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4