{[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[1-(4-methoxyphenyl)ethyl]methylamine

• ChemBase ID: 776272
• Molecular Formular: C21H22F2N2O2
• Molecular Mass: 372.4083864
• Monoisotopic Mass: 372.16493439
• SMILES: c1(nc(c(o1)C)CN(C(c1ccc(cc1)OC)C)C)c1c(cc(cc1)F)F
• Canonical SMILES: COc1ccc(cc1)C(N(Cc1nc(oc1C)c1ccc(cc1F)F)C)C
• InChI: InChI=1S/C21H22F2N2O2/c1-13(15-5-8-17(26-4)9-6-15)25(3)12-20-14(2)27-21(24-20)18-10-7-16(22)11-19(18)23/h5-11,13H,12H2,1-4H3
• InChIKey: KPFAESIZDGXLLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[1-(4-methoxyphenyl)ethyl]methylamine
• IUPAC Traditional name: {[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[1-(4-methoxyphenyl)ethyl]methylamine
• Synonyms: N-{[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-(4-methoxyphenyl)-N-methylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4233112
• LogD (pH = 7.4): 4.06745
• Log P: 4.431118
• Molar Refractivity: 110.9666 cm^3
• Polarizability: 38.669907 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: 4.28
• LOG S: -4.08
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5