N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide

• ChemBase ID: 449622
• Molecular Formular: C14H15N3O4
• Molecular Mass: 289.2866
• Monoisotopic Mass: 289.10625598
• SMILES: n1c(onc1CNC(=O)C(=O)c1occc1)C1CCCC1
• Canonical SMILES: O=C(C(=O)c1ccco1)NCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C14H15N3O4/c18-12(10-6-3-7-20-10)13(19)15-8-11-16-14(21-17-11)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,15,19)
• InChIKey: XPBCEDSLPTULLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
• IUPAC Traditional name: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
• Synonyms: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-furyl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.675364
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5938988
• LogD (pH = 7.4): 1.593691
• Log P: 1.5939014
• Molar Refractivity: 73.1468 cm^3
• Polarizability: 27.228832 Å^3
• Polar Surface Area: 98.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.62
• LOG S: -1.84
• Polar Surface Area: 98.23 Å^2
• Rotatable Bonds: 5