2-(1-methyl-1H-imidazol-2-yl)-1-{[5-methyl-2-(naphthalen-2-yl)-1,3-oxazol-4-yl]methyl}piperidine

• ChemBase ID: 664612
• Molecular Formular: C24H26N4O
• Molecular Mass: 386.48944
• Monoisotopic Mass: 386.21066147
• SMILES: n1c(c(oc1c1cc2c(cc1)cccc2)C)CN1C(c2n(ccn2)C)CCCC1
• Canonical SMILES: Cc1oc(nc1CN1CCCCC1c1nccn1C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C24H26N4O/c1-17-21(16-28-13-6-5-9-22(28)23-25-12-14-27(23)2)26-24(29-17)20-11-10-18-7-3-4-8-19(18)15-20/h3-4,7-8,10-12,14-15,22H,5-6,9,13,16H2,1-2H3
• InChIKey: ORAIISYBKYHHSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-imidazol-2-yl)-1-{[5-methyl-2-(naphthalen-2-yl)-1,3-oxazol-4-yl]methyl}piperidine
• IUPAC Traditional name: 1-{[5-methyl-2-(naphthalen-2-yl)-1,3-oxazol-4-yl]methyl}-2-(1-methylimidazol-2-yl)piperidine
• Synonyms: 2-(1-methyl-1H-imidazol-2-yl)-1-{[5-methyl-2-(2-naphthyl)-1,3-oxazol-4-yl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0984583
• LogD (pH = 7.4): 4.066165
• Log P: 4.116982
• Molar Refractivity: 125.1678 cm^3
• Polarizability: 45.924114 Å^3
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.94
• LOG S: -5.09
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 4