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

• ChemBase ID: 495113
• Molecular Formular: C25H25N3O
• Molecular Mass: 383.4855
• Monoisotopic Mass: 383.19976244
• SMILES: n1c(c(oc1c1cc2c(cc1)cccc2)C)CN1C(c2cnccc2)CCCC1
• Canonical SMILES: Cc1oc(nc1CN1CCCCC1c1cccnc1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C25H25N3O/c1-18-23(17-28-14-5-4-10-24(28)22-9-6-13-26-16-22)27-25(29-18)21-12-11-19-7-2-3-8-20(19)15-21/h2-3,6-9,11-13,15-16,24H,4-5,10,14,17H2,1H3
• InChIKey: YCVMEIBZXFXLGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6165853
• LogD (pH = 7.4): 4.2370815
• Log P: 4.568748
• Molar Refractivity: 125.7573 cm^3
• Polarizability: 46.490955 Å^3
• Polar Surface Area: 42.16 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: 4.6
• LOG S: -4.69
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4