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

• ChemBase ID: 340083
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: c1(C(=O)N2C(C)CCCC2)nc(oc1)COc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)N1CCCCC1C
• InChI: InChI=1S/C18H22N2O4/c1-13-6-3-4-9-20(13)18(21)16-11-24-17(19-16)12-23-15-8-5-7-14(10-15)22-2/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3
• InChIKey: UYFSAJMVQYNNQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3482182
• LogD (pH = 7.4): 2.3482182
• Log P: 2.3482182
• Molar Refractivity: 88.694 cm^3
• Polarizability: 34.128845 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: -2.75
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 4