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

• ChemBase ID: 284356
• Molecular Formular: C12H18N4O2
• Molecular Mass: 250.29692
• Monoisotopic Mass: 250.14297584
• SMILES: n1c(noc1C1CC1)CN(C(=O)C)C1CCNC1
• Canonical SMILES: CC(=O)N(C1CNCC1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C12H18N4O2/c1-8(17)16(10-4-5-13-6-10)7-11-14-12(18-15-11)9-2-3-9/h9-10,13H,2-7H2,1H3
• InChIKey: LYQQMOYQIRSBNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22566098
• PubChem SID: 180669887
• PubChem CID: 73994626

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3710315
• LogD (pH = 7.4): -2.8594909
• Log P: -0.014570863
• Molar Refractivity: 66.1296 cm^3
• Polarizability: 25.10935 Å^3
• Polar Surface Area: 71.26 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.821

Product Information

• Purity: 95%