(1-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-4-yl)methanol

• ChemBase ID: 610621
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: c1(nc(c(o1)C)CN1CCC(CC1)CO)c1c2c(c(cc1)OC)cccc2
• Canonical SMILES: OCC1CCN(CC1)Cc1nc(oc1C)c1ccc(c2c1cccc2)OC
• InChI: InChI=1S/C22H26N2O3/c1-15-20(13-24-11-9-16(14-25)10-12-24)23-22(27-15)19-7-8-21(26-2)18-6-4-3-5-17(18)19/h3-8,16,25H,9-14H2,1-2H3
• InChIKey: IIDLQSCYUDHDLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-4-yl)methanol
• IUPAC Traditional name: (1-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-4-yl)methanol
• Synonyms: (1-{[2-(4-methoxy-1-naphthyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-4-yl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.467189
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.42934483
• LogD (pH = 7.4): 2.1744058
• Log P: 2.7728033
• Molar Refractivity: 116.4949 cm^3
• Polarizability: 42.70537 Å^3
• Polar Surface Area: 58.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.58
• LOG S: -3.92
• Polar Surface Area: 58.73 Å^2
• Rotatable Bonds: 5