N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 326908
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: c1(noc(c1)c1ccccc1)C(=O)NCCc1nc(on1)C1CCCC1
• Canonical SMILES: O=C(c1noc(c1)c1ccccc1)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C19H20N4O3/c24-18(15-12-16(25-22-15)13-6-2-1-3-7-13)20-11-10-17-21-19(26-23-17)14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-11H2,(H,20,24)
• InChIKey: ZPBYLLZGGJNVAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
• Synonyms: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5-phenyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.74516
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3404806
• LogD (pH = 7.4): 3.340479
• Log P: 3.3404808
• Molar Refractivity: 96.5975 cm^3
• Polarizability: 36.906677 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: 1.99
• LOG S: -3.47
• Polar Surface Area: 94.05 Å^2
• Rotatable Bonds: 6