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

• ChemBase ID: 284354
• Molecular Formular: C10H16N4O2
• Molecular Mass: 224.25964
• Monoisotopic Mass: 224.12732577
• SMILES: n1c(noc1C)CN(C(=O)C)C1CCNC1
• Canonical SMILES: CC(=O)N(C1CNCC1)Cc1noc(n1)C
• InChI: InChI=1S/C10H16N4O2/c1-7-12-10(13-16-7)6-14(8(2)15)9-3-4-11-5-9/h9,11H,3-6H2,1-2H3
• InChIKey: JXQVVQMCMHWUOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22392269
• PubChem SID: 180669885
• PubChem CID: 73994624

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.0862284
• LogD (pH = 7.4): -3.574688
• Log P: -0.729768
• Molar Refractivity: 58.7304 cm^3
• Polarizability: 22.165895 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.265

Product Information

• Purity: 95%