N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide

• ChemBase ID: 284355
• Molecular Formular: C11H18N4O2
• Molecular Mass: 238.28622
• Monoisotopic Mass: 238.14297584
• SMILES: n1c(noc1CC)CN(C(=O)C)C1CCNC1
• Canonical SMILES: CCc1onc(n1)CN(C1CNCC1)C(=O)C
• InChI: InChI=1S/C11H18N4O2/c1-3-11-13-10(14-17-11)7-15(8(2)16)9-4-5-12-6-9/h9,12H,3-7H2,1-2H3
• InChIKey: WCPLHSSJPUVSBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
• Synonyms: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide

Database IDs

• MDL Number: MFCD22578753
• PubChem SID: 180669886
• PubChem CID: 73994625

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4372587
• LogD (pH = 7.4): -2.925718
• Log P: -0.08079808
• Molar Refractivity: 63.3573 cm^3
• Polarizability: 23.993402 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.736

Product Information

• Purity: 95%