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

• ChemBase ID: 601708
• Molecular Formular: C24H24N2O2
• Molecular Mass: 372.45956
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methoxyphenyl)methyl](methyl){[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}amine
• IUPAC Traditional name: [(3-methoxyphenyl)methyl](methyl){[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}amine
• Synonyms: (3-methoxybenzyl)methyl{[5-methyl-2-(1-naphthyl)-1,3-oxazol-4-yl]methyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0485058
• LogD (pH = 7.4): 4.518658
• Log P: 4.718616
• Molar Refractivity: 122.5652 cm^3
• Polarizability: 45.11125 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: 4.83
• LOG S: -4.11
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5