3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]propanamide

• ChemBase ID: 523463
• Molecular Formular: C18H20N4O4
• Molecular Mass: 356.3758
• Monoisotopic Mass: 356.14845514
• SMILES: c1(nc(on1)CCC(=O)N(C(c1nocc1)C)C)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1noc(n1)CCC(=O)N(C(c1ccon1)C)C
• InChI: InChI=1S/C18H20N4O4/c1-12(14-10-11-25-20-14)22(2)17(23)9-8-16-19-18(21-26-16)13-6-4-5-7-15(13)24-3/h4-7,10-12H,8-9H2,1-3H3
• InChIKey: ARCFOEBLSUPOKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]propanamide
• IUPAC Traditional name: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]propanamide
• Synonyms: N-(1-isoxazol-3-ylethyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5080466
• LogD (pH = 7.4): 2.5080466
• Log P: 2.5080466
• Molar Refractivity: 105.5243 cm^3
• Polarizability: 36.116085 Å^3
• Polar Surface Area: 94.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.05
• LOG S: -3.15
• Polar Surface Area: 94.49 Å^2
• Rotatable Bonds: 7