1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(methoxymethyl)piperidine

• ChemBase ID: 320164
• Molecular Formular: C18H23FN2O2
• Molecular Mass: 318.3858232
• Monoisotopic Mass: 318.17435621
• SMILES: n1c(c(oc1c1cc(F)ccc1)C)CN1C(COC)CCCC1
• Canonical SMILES: COCC1CCCCN1Cc1nc(oc1C)c1cccc(c1)F
• InChI: InChI=1S/C18H23FN2O2/c1-13-17(11-21-9-4-3-8-16(21)12-22-2)20-18(23-13)14-6-5-7-15(19)10-14/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3
• InChIKey: OWPNYLKGOBBNQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(methoxymethyl)piperidine
• IUPAC Traditional name: 1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(methoxymethyl)piperidine
• Synonyms: 1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(methoxymethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.80122495
• LogD (pH = 7.4): 2.550663
• Log P: 3.1681972
• Molar Refractivity: 98.1113 cm^3
• Polarizability: 34.222763 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.31
• LOG S: -2.98
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4