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

• ChemBase ID: 744705
• Molecular Formular: C19H25ClN2O2
• Molecular Mass: 348.867
• Monoisotopic Mass: 348.16045573
• SMILES: n1c(c(oc1c1ccc(cc1)Cl)C)CN1CC(OCCC)CCC1
• Canonical SMILES: CCCOC1CCCN(C1)Cc1nc(oc1C)c1ccc(cc1)Cl
• InChI: InChI=1S/C19H25ClN2O2/c1-3-11-23-17-5-4-10-22(12-17)13-18-14(2)24-19(21-18)15-6-8-16(20)9-7-15/h6-9,17H,3-5,10-13H2,1-2H3
• InChIKey: SUICCMIAVPLTFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9365473
• LogD (pH = 7.4): 3.625056
• Log P: 4.0643015
• Molar Refractivity: 107.3713 cm^3
• Polarizability: 38.273663 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.32
• LOG S: -4.26
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4