N-ethyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylprop-2-en-1-yl)butanamide

• ChemBase ID: 531337
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: n1c(noc1CCCC(=O)N(CC(=C)C)CC)c1cc(OC)ccc1
• Canonical SMILES: CCN(C(=O)CCCc1onc(n1)c1cccc(c1)OC)CC(=C)C
• InChI: InChI=1S/C19H25N3O3/c1-5-22(13-14(2)3)18(23)11-7-10-17-20-19(21-25-17)15-8-6-9-16(12-15)24-4/h6,8-9,12H,2,5,7,10-11,13H2,1,3-4H3
• InChIKey: DFRMJBYRRTZAHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylprop-2-en-1-yl)butanamide
• IUPAC Traditional name: N-ethyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylprop-2-en-1-yl)butanamide
• Synonyms: N-ethyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylprop-2-en-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 3.3709505
• LogD (pH = 7.4): 3.3709507
• Log P: 3.3709507
• Molar Refractivity: 108.2923 cm^3
• Polarizability: 37.614376 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.64
• LOG S: -3.96
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 9
• H Acceptors: 5