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

• ChemBase ID: 327204
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: c1(nc(c(o1)C)CN1C(CO)CCCC1)c1c2c(c(cc1)OC)cccc2
• Canonical SMILES: OCC1CCCCN1Cc1nc(oc1C)c1ccc(c2c1cccc2)OC
• InChI: InChI=1S/C22H26N2O3/c1-15-20(13-24-12-6-5-7-16(24)14-25)23-22(27-15)19-10-11-21(26-2)18-9-4-3-8-17(18)19/h3-4,8-11,16,25H,5-7,12-14H2,1-2H3
• InChIKey: HVZZEXHWNYPNPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.111987
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7732542
• LogD (pH = 7.4): 2.5341718
• Log P: 3.214174
• Molar Refractivity: 116.0571 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: 3.72
• LOG S: -3.5
• Polar Surface Area: 58.73 Å^2
• Rotatable Bonds: 4