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

• ChemBase ID: 816814
• Molecular Formular: C25H25N3O
• Molecular Mass: 383.4855
• Monoisotopic Mass: 383.19976244
• SMILES: c1(nc(c(o1)C)CN1C(c2ncccc2)CCCC1)c1c2c(ccc1)cccc2
• Canonical SMILES: Cc1oc(nc1CN1CCCCC1c1ccccn1)c1cccc2c1cccc2
• InChI: InChI=1S/C25H25N3O/c1-18-23(17-28-16-7-5-14-24(28)22-13-4-6-15-26-22)27-25(29-18)21-12-8-10-19-9-2-3-11-20(19)21/h2-4,6,8-13,15,24H,5,7,14,16-17H2,1H3
• InChIKey: NFXXUMPPIDATDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4467816
• LogD (pH = 7.4): 4.6968784
• Log P: 4.802409
• Molar Refractivity: 125.3102 cm^3
• Polarizability: 46.495445 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: -5.03
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4