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

• ChemBase ID: 322321
• Molecular Formular: C18H20F2N2O4
• Molecular Mass: 366.3592064
• Monoisotopic Mass: 366.13911357
• SMILES: c1(nc(oc1)COc1c(c(F)ccc1)F)C(=O)N1CCC(CC1)COC
• Canonical SMILES: COCC1CCN(CC1)C(=O)c1coc(n1)COc1cccc(c1F)F
• InChI: InChI=1S/C18H20F2N2O4/c1-24-9-12-5-7-22(8-6-12)18(23)14-10-26-16(21-14)11-25-15-4-2-3-13(19)17(15)20/h2-4,10,12H,5-9,11H2,1H3
• InChIKey: FFQFQPNEJMKXCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.946139
• LogD (pH = 7.4): 1.946139
• Log P: 1.946139
• Molar Refractivity: 89.3963 cm^3
• Polarizability: 33.653934 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: 0.88
• LOG S: -3.85
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 5