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

• ChemBase ID: 319528
• Molecular Formular: C20H20F2N2O2
• Molecular Mass: 358.3818064
• Monoisotopic Mass: 358.14928433
• SMILES: c1(nc(c(o1)C)CN(Cc1cc(OC)ccc1)C)c1c(c(F)ccc1)F
• Canonical SMILES: COc1cccc(c1)CN(Cc1nc(oc1C)c1cccc(c1F)F)C
• InChI: InChI=1S/C20H20F2N2O2/c1-13-18(12-24(2)11-14-6-4-7-15(10-14)25-3)23-20(26-13)16-8-5-9-17(21)19(16)22/h4-10H,11-12H2,1-3H3
• InChIKey: AETDAQRNAJIREB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3640177
• LogD (pH = 7.4): 3.8219676
• Log P: 4.014543
• Molar Refractivity: 106.5478 cm^3
• Polarizability: 36.834908 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: 3.9
• LOG S: -3.67
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5