N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

• ChemBase ID: 381424
• Molecular Formular: C17H19N5O4
• Molecular Mass: 357.36386
• Monoisotopic Mass: 357.14370411
• SMILES: c1(nc(on1)CCC(=O)NCCOc1nonc1C)c1c(C)cccc1
• Canonical SMILES: O=C(CCc1onc(n1)c1ccccc1C)NCCOc1nonc1C
• InChI: InChI=1S/C17H19N5O4/c1-11-5-3-4-6-13(11)16-19-15(25-21-16)8-7-14(23)18-9-10-24-17-12(2)20-26-22-17/h3-6H,7-10H2,1-2H3,(H,18,23)
• InChIKey: CLAJJQPCEQEYNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• IUPAC Traditional name: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• Synonyms: N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.630018
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.2678885
• LogD (pH = 7.4): 2.2678885
• Log P: 2.2678885
• Molar Refractivity: 105.0071 cm^3
• Polarizability: 35.13433 Å^3
• Polar Surface Area: 116.17 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 2.04
• LOG S: -3.55
• Polar Surface Area: 116.17 Å^2
• Rotatable Bonds: 8