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

• ChemBase ID: 476503
• Molecular Formular: C17H21FN2O3
• Molecular Mass: 320.3586432
• Monoisotopic Mass: 320.15362076
• SMILES: c1(nc(c(o1)C)CN1CCC(CC1)O)c1c(ccc(c1)OC)F
• Canonical SMILES: COc1ccc(c(c1)c1nc(c(o1)C)CN1CCC(CC1)O)F
• InChI: InChI=1S/C17H21FN2O3/c1-11-16(10-20-7-5-12(21)6-8-20)19-17(23-11)14-9-13(22-2)3-4-15(14)18/h3-4,9,12,21H,5-8,10H2,1-2H3
• InChIKey: DBWVFTXHQCQNJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.179252
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.40510798
• LogD (pH = 7.4): 1.1768829
• Log P: 1.4654276
• Molar Refractivity: 95.4431 cm^3
• Polarizability: 33.017418 Å^3
• Polar Surface Area: 58.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.38
• LOG S: -1.71
• Polar Surface Area: 58.73 Å^2
• Rotatable Bonds: 4