5-methyl-2-phenyl-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide

• ChemBase ID: 491143
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: c1(c(oc(c1)C)c1ccccc1)C(=O)NC(c1nc(no1)CCC)C
• Canonical SMILES: CCCc1noc(n1)C(NC(=O)c1cc(oc1c1ccccc1)C)C
• InChI: InChI=1S/C19H21N3O3/c1-4-8-16-21-19(25-22-16)13(3)20-18(23)15-11-12(2)24-17(15)14-9-6-5-7-10-14/h5-7,9-11,13H,4,8H2,1-3H3,(H,20,23)
• InChIKey: GJCQSRJKOFVASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-phenyl-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
• IUPAC Traditional name: 5-methyl-2-phenyl-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
• Synonyms: 5-methyl-2-phenyl-N-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.692765
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.673903
• LogD (pH = 7.4): 3.673903
• Log P: 3.673903
• Molar Refractivity: 95.6118 cm^3
• Polarizability: 36.576714 Å^3
• Polar Surface Area: 81.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.4
• LOG S: -4.58
• Polar Surface Area: 81.16 Å^2
• Rotatable Bonds: 6