1-[2-(3-methoxyphenoxymethyl)-1,3-oxazole-4-carbonyl]-3-methylpiperidine

• ChemBase ID: 861721
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: c1(nc(oc1)COc1cc(OC)ccc1)C(=O)N1CC(CCC1)C
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)N1CCCC(C1)C
• InChI: InChI=1S/C18H22N2O4/c1-13-5-4-8-20(10-13)18(21)16-11-24-17(19-16)12-23-15-7-3-6-14(9-15)22-2/h3,6-7,9,11,13H,4-5,8,10,12H2,1-2H3
• InChIKey: DOSXVJLOXOXTJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-methoxyphenoxymethyl)-1,3-oxazole-4-carbonyl]-3-methylpiperidine
• IUPAC Traditional name: 1-[2-(3-methoxyphenoxymethyl)-1,3-oxazole-4-carbonyl]-3-methylpiperidine
• Synonyms: 1-({2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl}carbonyl)-3-methylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2966158
• LogD (pH = 7.4): 2.2966158
• Log P: 2.2966158
• Molar Refractivity: 88.7468 cm^3
• Polarizability: 34.12886 Å^3
• Polar Surface Area: 64.8 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: 2.17
• LOG S: -2.92
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4