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

• ChemBase ID: 318969
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: n1c(onc1CCNC(=O)CCc1c(OC)cccc1)C1CCC1
• Canonical SMILES: COc1ccccc1CCC(=O)NCCc1noc(n1)C1CCC1
• InChI: InChI=1S/C18H23N3O3/c1-23-15-8-3-2-5-13(15)9-10-17(22)19-12-11-16-20-18(24-21-16)14-6-4-7-14/h2-3,5,8,14H,4,6-7,9-12H2,1H3,(H,19,22)
• InChIKey: MUTAPPUXRHUECS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.110692
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8379822
• LogD (pH = 7.4): 2.8379822
• Log P: 2.8379824
• Molar Refractivity: 91.0284 cm^3
• Polarizability: 34.54242 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.78
• LOG S: -3.12
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 8