N-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(naphthalen-2-yloxy)propanamide

• ChemBase ID: 835162
• Molecular Formular: C19H21N3O4
• Molecular Mass: 355.38774
• Monoisotopic Mass: 355.15320617
• SMILES: n1c(noc1CCOC)CNC(=O)C(Oc1cc2c(cc1)cccc2)C
• Canonical SMILES: COCCc1onc(n1)CNC(=O)C(Oc1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C19H21N3O4/c1-13(25-16-8-7-14-5-3-4-6-15(14)11-16)19(23)20-12-17-21-18(26-22-17)9-10-24-2/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,23)
• InChIKey: MKIQWCLXRIPBRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(naphthalen-2-yloxy)propanamide
• IUPAC Traditional name: N-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(naphthalen-2-yloxy)propanamide
• Synonyms: N-{[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(2-naphthyloxy)propanamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 2.4562032
• Log P: 2.456209
• Molar Refractivity: 96.6017 cm^3
• Polarizability: 37.91961 Å^3
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 12.245293
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.456209

供应商提供(Chembridge)

• Log P: 2.49
• LOG S: -3.92
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 8
• H Acceptors: 6
• H Donor: 1