N-[(3S)-1-{4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl}pyrrolidin-3-yl]acetamide

• ChemBase ID: 510982
• Molecular Formular: C16H20N4O4
• Molecular Mass: 332.3544
• Monoisotopic Mass: 332.14845514
• SMILES: c1(nc(on1)CCCC(=O)N1C[C@@H](NC(=O)C)CC1)c1occc1
• Canonical SMILES: CC(=O)N[C@H]1CCN(C1)C(=O)CCCc1onc(n1)c1ccco1
• InChI: InChI=1S/C16H20N4O4/c1-11(21)17-12-7-8-20(10-12)15(22)6-2-5-14-18-16(19-24-14)13-4-3-9-23-13/h3-4,9,12H,2,5-8,10H2,1H3,(H,17,21)/t12-/m0/s1
• InChIKey: DILHOFLIILYZQV-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S)-1-{4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl}pyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[(3S)-1-{4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl}pyrrolidin-3-yl]acetamide
• Synonyms: N-((3S)-1-{4-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]butanoyl}pyrrolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.120333
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.34590927
• LogD (pH = 7.4): 0.34590942
• Log P: 0.34590942
• Molar Refractivity: 95.9869 cm^3
• Polarizability: 32.79306 Å^3
• Polar Surface Area: 101.47 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: -0.45
• LOG S: -2.55
• Polar Surface Area: 101.47 Å^2
• Rotatable Bonds: 6