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

• ChemBase ID: 284353
• Molecular Formular: C11H18N4O
• Molecular Mass: 222.28682
• Monoisotopic Mass: 222.14806122
• SMILES: n1c(onc1CN(C1CCNC1)C)C1CC1
• Canonical SMILES: CN(C1CNCC1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C11H18N4O/c1-15(9-4-5-12-6-9)7-10-13-11(16-14-10)8-2-3-8/h8-9,12H,2-7H2,1H3
• InChIKey: MGEFLIBUAICODM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18325870
• PubChem SID: 180669884
• PubChem CID: 63301741

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6945865
• LogD (pH = 7.4): -2.3979683
• Log P: 0.6723522
• Molar Refractivity: 61.8584 cm^3
• Polarizability: 23.53895 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.043

Product Information

• Purity: 95%