3-(methoxymethyl)-1-[2-(phenoxymethyl)-1,3-oxazole-4-carbonyl]piperidine

• ChemBase ID: 410961
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: c1(nc(oc1)COc1ccccc1)C(=O)N1CC(COC)CCC1
• Canonical SMILES: COCC1CCCN(C1)C(=O)c1coc(n1)COc1ccccc1
• InChI: InChI=1S/C18H22N2O4/c1-22-11-14-6-5-9-20(10-14)18(21)16-12-24-17(19-16)13-23-15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11,13H2,1H3
• InChIKey: UPINKPRPATZTIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methoxymethyl)-1-[2-(phenoxymethyl)-1,3-oxazole-4-carbonyl]piperidine
• IUPAC Traditional name: 3-(methoxymethyl)-1-[2-(phenoxymethyl)-1,3-oxazole-4-carbonyl]piperidine
• Synonyms: 3-(methoxymethyl)-1-{[2-(phenoxymethyl)-1,3-oxazol-4-yl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7022918
• LogD (pH = 7.4): 1.7022918
• Log P: 1.7022918
• Molar Refractivity: 88.8647 cm^3
• Polarizability: 34.14496 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.67
• LOG S: -3.53
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 5