{[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(ethyl)(oxolan-2-ylmethyl)amine

• ChemBase ID: 850602
• Molecular Formular: C18H22F2N2O2
• Molecular Mass: 336.3762864
• Monoisotopic Mass: 336.16493439
• SMILES: n1c(oc(c1CN(CC1OCCC1)CC)C)c1cc(cc(c1)F)F
• Canonical SMILES: CCN(Cc1nc(oc1C)c1cc(F)cc(c1)F)CC1CCCO1
• InChI: InChI=1S/C18H22F2N2O2/c1-3-22(10-16-5-4-6-23-16)11-17-12(2)24-18(21-17)13-7-14(19)9-15(20)8-13/h7-9,16H,3-6,10-11H2,1-2H3
• InChIKey: XVISNWSKUZKNFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(ethyl)(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: {[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(ethyl)(oxolan-2-ylmethyl)amine
• Synonyms: N-{[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(tetrahydro-2-furanylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1572237
• LogD (pH = 7.4): 2.824018
• Log P: 3.2231383
• Molar Refractivity: 98.4753 cm^3
• Polarizability: 33.92574 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: 3.49
• LOG S: -3.44
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5