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

• ChemBase ID: 548196
• Molecular Formular: C22H25FN2O3
• Molecular Mass: 384.4439032
• Monoisotopic Mass: 384.18492089
• SMILES: n1c(c(oc1c1cc(c(cc1)F)OC)C)CN(C(c1cc(OC)ccc1)C)C
• Canonical SMILES: COc1cccc(c1)C(N(Cc1nc(oc1C)c1ccc(c(c1)OC)F)C)C
• InChI: InChI=1S/C22H25FN2O3/c1-14(16-7-6-8-18(11-16)26-4)25(3)13-20-15(2)28-22(24-20)17-9-10-19(23)21(12-17)27-5/h6-12,14H,13H2,1-5H3
• InChIKey: CNXOMKHQYYPQNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 4.01
• LOG S: -3.83
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5

JChem

• LogD (pH = 5.5): 2.1933308
• LogD (pH = 7.4): 3.8071067
• Log P: 4.130745
• Molar Refractivity: 117.2134 cm^3
• Polarizability: 41.514095 Å^3
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0