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

• ChemBase ID: 488733
• Molecular Formular: C17H21FN2O2
• Molecular Mass: 304.3592432
• Monoisotopic Mass: 304.15870614
• SMILES: c1(nc(c(o1)C)CN1CCCCC1)c1c(cc(cc1)OC)F
• Canonical SMILES: COc1ccc(c(c1)F)c1nc(c(o1)C)CN1CCCCC1
• InChI: InChI=1S/C17H21FN2O2/c1-12-16(11-20-8-4-3-5-9-20)19-17(22-12)14-7-6-13(21-2)10-15(14)18/h6-7,10H,3-5,8-9,11H2,1-2H3
• InChIKey: FEHWDYYUWOMYGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6480966
• LogD (pH = 7.4): 2.3943417
• Log P: 2.9977343
• Molar Refractivity: 93.8608 cm^3
• Polarizability: 32.370953 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.2
• LOG S: -3.15
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4