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

• ChemBase ID: 754871
• Molecular Formular: C19H23FN2O3
• Molecular Mass: 346.3959232
• Monoisotopic Mass: 346.16927083
• SMILES: c1(C(=O)N2CC(COc3ccc(F)cc3)CCC2)c(nc(o1)CC)C
• Canonical SMILES: CCc1nc(c(o1)C(=O)N1CCCC(C1)COc1ccc(cc1)F)C
• InChI: InChI=1S/C19H23FN2O3/c1-3-17-21-13(2)18(25-17)19(23)22-10-4-5-14(11-22)12-24-16-8-6-15(20)7-9-16/h6-9,14H,3-5,10-12H2,1-2H3
• InChIKey: OITJICVMVXUGGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-3-(4-fluorophenoxymethyl)piperidine
• IUPAC Traditional name: 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-3-(4-fluorophenoxymethyl)piperidine
• Synonyms: 1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-3-[(4-fluorophenoxy)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3851714
• LogD (pH = 7.4): 2.3851721
• Log P: 2.3851721
• Molar Refractivity: 92.0956 cm^3
• Polarizability: 34.82922 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.67
• LOG S: -3.15
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5