ethyl 2-(1-{[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-2-yl)acetate

• ChemBase ID: 316981
• Molecular Formular: C21H27FN2O4
• Molecular Mass: 390.4484832
• Monoisotopic Mass: 390.19548557
• SMILES: c1(nc(c(o1)C)CN1C(CC(=O)OCC)CCCC1)c1c(cc(cc1)OC)F
• Canonical SMILES: CCOC(=O)CC1CCCCN1Cc1nc(oc1C)c1ccc(cc1F)OC
• InChI: InChI=1S/C21H27FN2O4/c1-4-27-20(25)11-15-7-5-6-10-24(15)13-19-14(2)28-21(23-19)17-9-8-16(26-3)12-18(17)22/h8-9,12,15H,4-7,10-11,13H2,1-3H3
• InChIKey: GJZRBPDJPQBQEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(1-{[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(1-{[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-2-yl)acetate
• Synonyms: ethyl (1-{[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-piperidinyl)acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1130896
• LogD (pH = 7.4): 2.812597
• Log P: 3.2751994
• Molar Refractivity: 113.8327 cm^3
• Polarizability: 40.529804 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.2
• LOG S: -3.57
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 5