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

• ChemBase ID: 842669
• Molecular Formular: C18H21FN2O4
• Molecular Mass: 348.3687432
• Monoisotopic Mass: 348.14853538
• SMILES: c1(nc(oc1)COc1ccc(F)cc1)C(=O)N1CCC(CC1)COC
• Canonical SMILES: COCC1CCN(CC1)C(=O)c1coc(n1)COc1ccc(cc1)F
• InChI: InChI=1S/C18H21FN2O4/c1-23-10-13-6-8-21(9-7-13)18(22)16-11-25-17(20-16)12-24-15-4-2-14(19)3-5-15/h2-5,11,13H,6-10,12H2,1H3
• InChIKey: UNQUDHUZVPSHKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.803437
• LogD (pH = 7.4): 1.803437
• Log P: 1.803437
• Molar Refractivity: 89.1799 cm^3
• Polarizability: 33.878483 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: 0.95
• LOG S: -3.79
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 5