N-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-ylmethyl)propanamide

• ChemBase ID: 340236
• Molecular Formular: C20H27N3O3
• Molecular Mass: 357.44668
• Monoisotopic Mass: 357.20524174
• SMILES: c1(nc(on1)CCC(=O)N(CC1CCOCC1)CC)c1c(C)cccc1
• Canonical SMILES: CCN(C(=O)CCc1onc(n1)c1ccccc1C)CC1CCOCC1
• InChI: InChI=1S/C20H27N3O3/c1-3-23(14-16-10-12-25-13-11-16)19(24)9-8-18-21-20(22-26-18)17-7-5-4-6-15(17)2/h4-7,16H,3,8-14H2,1-2H3
• InChIKey: ZUZIOYFMXBRZKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-ylmethyl)propanamide
• IUPAC Traditional name: N-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-ylmethyl)propanamide
• Synonyms: N-ethyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0235815
• LogD (pH = 7.4): 3.0235817
• Log P: 3.0235817
• Molar Refractivity: 112.1181 cm^3
• Polarizability: 38.909184 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.49
• LOG S: -3.08
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7