3-(4-methoxyphenoxymethyl)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidine

• ChemBase ID: 641190
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: c1(C(=O)N2CC(COc3ccc(cc3)OC)CCC2)onc(c1)C
• Canonical SMILES: COc1ccc(cc1)OCC1CCCN(C1)C(=O)c1onc(c1)C
• InChI: InChI=1S/C18H22N2O4/c1-13-10-17(24-19-13)18(21)20-9-3-4-14(11-20)12-23-16-7-5-15(22-2)6-8-16/h5-8,10,14H,3-4,9,11-12H2,1-2H3
• InChIKey: IYTIXEOXRXLSMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenoxymethyl)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidine
• IUPAC Traditional name: 3-(4-methoxyphenoxymethyl)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidine
• Synonyms: 3-[(4-methoxyphenoxy)methyl]-1-[(3-methyl-5-isoxazolyl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6838512
• LogD (pH = 7.4): 1.6838523
• Log P: 1.6838523
• Molar Refractivity: 90.0074 cm^3
• Polarizability: 34.059303 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: 1.05
• LOG S: -2.51
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 5