ethyl 2-(1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-2-yl)acetate

• ChemBase ID: 396497
• Molecular Formular: C14H23N3O4
• Molecular Mass: 297.35012
• Monoisotopic Mass: 297.16885623
• SMILES: n1c(onc1COC)CN1C(CC(=O)OCC)CCCC1
• Canonical SMILES: COCc1noc(n1)CN1CCCCC1CC(=O)OCC
• InChI: InChI=1S/C14H23N3O4/c1-3-20-14(18)8-11-6-4-5-7-17(11)9-13-15-12(10-19-2)16-21-13/h11H,3-10H2,1-2H3
• InChIKey: MJLPDQDSZBZOOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.027016167
• LogD (pH = 7.4): 1.1050459
• Log P: 1.1810843
• Molar Refractivity: 77.7355 cm^3
• Polarizability: 29.86484 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.42
• LOG S: -1.57
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 8