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

• ChemBase ID: 392773
• Molecular Formular: C17H17ClN4O3
• Molecular Mass: 360.79488
• Monoisotopic Mass: 360.0989181
• SMILES: c1(c2noc(c2)C)nnc(o1)CCC(=O)NC(c1c(Cl)cccc1)C
• Canonical SMILES: O=C(NC(c1ccccc1Cl)C)CCc1nnc(o1)c1noc(c1)C
• InChI: InChI=1S/C17H17ClN4O3/c1-10-9-14(22-25-10)17-21-20-16(24-17)8-7-15(23)19-11(2)12-5-3-4-6-13(12)18/h3-6,9,11H,7-8H2,1-2H3,(H,19,23)
• InChIKey: LQDLEYGLMORIOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.999892
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0391665
• LogD (pH = 7.4): 2.0391665
• Log P: 2.0391667
• Molar Refractivity: 104.194 cm^3
• Polarizability: 35.43861 Å^3
• Polar Surface Area: 94.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.95
• LOG S: -5.01
• Polar Surface Area: 94.05 Å^2
• Rotatable Bonds: 6