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

• ChemBase ID: 58271
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(onc1CNC)C1CC1
• Canonical SMILES: CNCc1noc(n1)C1CC1
• InChI: InChI=1S/C7H11N3O/c1-8-4-6-9-7(11-10-6)5-2-3-5/h5,8H,2-4H2,1H3
• InChIKey: ICDWOXKTCNBLBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1177299-92-1
• MDL Number: MFCD09055327
• PubChem SID: 162063034
• PubChem CID: 28063999

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.73614115
• LogD (pH = 7.4): 0.58283913
• Log P: 0.7112445
• Molar Refractivity: 41.2727 cm^3
• Polarizability: 15.394609 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false