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

• ChemBase ID: 400877
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: n1c(c(oc1c1cc(c(cc1)OC)C)C)CN1CC(OC)CCC1
• Canonical SMILES: COC1CCCN(C1)Cc1nc(oc1C)c1ccc(c(c1)C)OC
• InChI: InChI=1S/C19H26N2O3/c1-13-10-15(7-8-18(13)23-4)19-20-17(14(2)24-19)12-21-9-5-6-16(11-21)22-3/h7-8,10,16H,5-6,9,11-12H2,1-4H3
• InChIKey: QYAUPJPEVXHWBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.77141744
• LogD (pH = 7.4): 2.471895
• Log P: 2.9366765
• Molar Refractivity: 104.7983 cm^3
• Polarizability: 37.00477 Å^3
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.05
• LOG S: -2.94
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 3