N-{2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-2-(thiophen-2-yl)acetamide

• ChemBase ID: 577954
• Molecular Formular: C14H17N3O3S
• Molecular Mass: 307.36808
• Monoisotopic Mass: 307.09906242
• SMILES: n1c(onc1CCNC(=O)Cc1sccc1)C1OCCC1
• Canonical SMILES: O=C(Cc1cccs1)NCCc1noc(n1)C1CCCO1
• InChI: InChI=1S/C14H17N3O3S/c18-13(9-10-3-2-8-21-10)15-6-5-12-16-14(20-17-12)11-4-1-7-19-11/h2-3,8,11H,1,4-7,9H2,(H,15,18)
• InChIKey: SHCFPBHIYNFADM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-2-(thiophen-2-yl)acetamide
• IUPAC Traditional name: N-{2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-2-(thiophen-2-yl)acetamide
• Synonyms: N-{2-[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-2-(2-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.750124
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7097037
• LogD (pH = 7.4): 1.7097037
• Log P: 1.7097037
• Molar Refractivity: 78.5936 cm^3
• Polarizability: 29.691486 Å^3
• Polar Surface Area: 77.25 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: -0.24
• LOG S: -2.55
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 6