3-[2-(2,6-difluorophenyl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine

• ChemBase ID: 397679
• Molecular Formular: C18H20F2N2O2
• Molecular Mass: 334.3604064
• Monoisotopic Mass: 334.14928433
• SMILES: c1(C(=O)N2CC(CCc3c(F)cccc3F)CCC2)noc(c1)C
• Canonical SMILES: Cc1onc(c1)C(=O)N1CCCC(C1)CCc1c(F)cccc1F
• InChI: InChI=1S/C18H20F2N2O2/c1-12-10-17(21-24-12)18(23)22-9-3-4-13(11-22)7-8-14-15(19)5-2-6-16(14)20/h2,5-6,10,13H,3-4,7-9,11H2,1H3
• InChIKey: JONNTBKVVFNYGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2,6-difluorophenyl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine
• IUPAC Traditional name: 3-[2-(2,6-difluorophenyl)ethyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine
• Synonyms: 3-[2-(2,6-difluorophenyl)ethyl]-1-[(5-methyl-3-isoxazolyl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7448795
• LogD (pH = 7.4): 3.7448795
• Log P: 3.7448795
• Molar Refractivity: 87.4929 cm^3
• Polarizability: 32.03425 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.32
• LOG S: -5.19
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4