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

• ChemBase ID: 451514
• Molecular Formular: C18H23ClN2O2
• Molecular Mass: 334.84042
• Monoisotopic Mass: 334.14480567
• SMILES: c1(nc(c(o1)C)CN1CC(COC)CCC1)c1c(Cl)cccc1
• Canonical SMILES: COCC1CCCN(C1)Cc1nc(oc1C)c1ccccc1Cl
• InChI: InChI=1S/C18H23ClN2O2/c1-13-17(11-21-9-5-6-14(10-21)12-22-2)20-18(23-13)15-7-3-4-8-16(15)19/h3-4,7-8,14H,5-6,9-12H2,1-2H3
• InChIKey: OFDGXSYSBPCOTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.59511787
• LogD (pH = 7.4): 2.3692493
• Log P: 3.2297256
• Molar Refractivity: 103.0387 cm^3
• Polarizability: 36.448753 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: 2.95
• LOG S: -3.15
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 5