N-methyl-4-phenoxy-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}butanamide

• ChemBase ID: 701409
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: n1c(noc1CN(C(=O)CCCOc1ccccc1)C)c1cnccc1
• Canonical SMILES: CN(C(=O)CCCOc1ccccc1)Cc1onc(n1)c1cccnc1
• InChI: InChI=1S/C19H20N4O3/c1-23(18(24)10-6-12-25-16-8-3-2-4-9-16)14-17-21-19(22-26-17)15-7-5-11-20-13-15/h2-5,7-9,11,13H,6,10,12,14H2,1H3
• InChIKey: BTKRWFHAFDGXJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-phenoxy-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}butanamide
• IUPAC Traditional name: N-methyl-4-phenoxy-N-{[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}butanamide
• Synonyms: N-methyl-4-phenoxy-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.274096
• LogD (pH = 7.4): 2.2797987
• Log P: 2.279872
• Molar Refractivity: 107.4857 cm^3
• Polarizability: 37.356564 Å^3
• Polar Surface Area: 81.35 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: 2.63
• LOG S: -4.01
• Polar Surface Area: 81.35 Å^2
• Rotatable Bonds: 8