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

• ChemBase ID: 497984
• Molecular Formular: C17H19FN2O3
• Molecular Mass: 318.3427632
• Monoisotopic Mass: 318.1379707
• SMILES: c1(nc(oc1)COc1ccc(F)cc1)C(=O)N1CC(CCC1)C
• Canonical SMILES: CC1CCCN(C1)C(=O)c1coc(n1)COc1ccc(cc1)F
• InChI: InChI=1S/C17H19FN2O3/c1-12-3-2-8-20(9-12)17(21)15-10-23-16(19-15)11-22-14-6-4-13(18)5-7-14/h4-7,10,12H,2-3,8-9,11H2,1H3
• InChIKey: NFUUJEVFMBADCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5969892
• LogD (pH = 7.4): 2.5969892
• Log P: 2.5969892
• Molar Refractivity: 82.5 cm^3
• Polarizability: 31.31259 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.36
• LOG S: -3.53
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4