2-(methoxymethyl)-1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidine

• ChemBase ID: 482036
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: c1(nc(c(o1)C)CN1C(COC)CCCC1)c1c(C)cccc1
• Canonical SMILES: COCC1CCCCN1Cc1nc(oc1C)c1ccccc1C
• InChI: InChI=1S/C19H26N2O2/c1-14-8-4-5-10-17(14)19-20-18(15(2)23-19)12-21-11-7-6-9-16(21)13-22-3/h4-5,8,10,16H,6-7,9,11-13H2,1-3H3
• InChIKey: PGZYXUITEBJPNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)-1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidine
• IUPAC Traditional name: 2-(methoxymethyl)-1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidine
• Synonyms: 2-(methoxymethyl)-1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1244473
• LogD (pH = 7.4): 2.881658
• Log P: 3.5389166
• Molar Refractivity: 102.9361 cm^3
• Polarizability: 36.339825 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.35
• LOG S: -2.74
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4