({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)(oxolan-2-ylmethyl)propylamine

• ChemBase ID: 620970
• Molecular Formular: C20H25F3N2O2
• Molecular Mass: 382.4199096
• Monoisotopic Mass: 382.18681271
• SMILES: n1c(c(oc1c1cc(C(F)(F)F)ccc1)C)CN(CC1OCCC1)CCC
• Canonical SMILES: CCCN(Cc1nc(oc1C)c1cccc(c1)C(F)(F)F)CC1CCCO1
• InChI: InChI=1S/C20H25F3N2O2/c1-3-9-25(12-17-8-5-10-26-17)13-18-14(2)27-19(24-18)15-6-4-7-16(11-15)20(21,22)23/h4,6-7,11,17H,3,5,8-10,12-13H2,1-2H3
• InChIKey: LKBPHJZYTPCTPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)(oxolan-2-ylmethyl)propylamine
• IUPAC Traditional name: ({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)(oxolan-2-ylmethyl)propylamine
• Synonyms: ({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)propyl(tetrahydro-2-furanylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9766377
• LogD (pH = 7.4): 3.7250826
• Log P: 4.338105
• Molar Refractivity: 108.5402 cm^3
• Polarizability: 37.40899 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.62
• LOG S: -4.61
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5