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

• ChemBase ID: 471556
• Molecular Formular: C21H22F2N2O2
• Molecular Mass: 372.4083864
• Monoisotopic Mass: 372.16493439
• SMILES: c1(nc(c(o1)C)CN(C(c1cc(OC)ccc1)C)C)c1c(cc(cc1)F)F
• Canonical SMILES: COc1cccc(c1)C(N(Cc1nc(oc1C)c1ccc(cc1F)F)C)C
• InChI: InChI=1S/C21H22F2N2O2/c1-13(15-6-5-7-17(10-15)26-4)25(3)12-20-14(2)27-21(24-20)18-9-8-16(22)11-19(18)23/h5-11,13H,12H2,1-4H3
• InChIKey: AEWFPJPRKGPAKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5125046
• LogD (pH = 7.4): 4.117633
• Log P: 4.431118
• Molar Refractivity: 110.9666 cm^3
• Polarizability: 38.66994 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0
• Log P: 4.28
• LOG S: -4.08