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

• ChemBase ID: 34515
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: o1nc(nc1CNC)C1CC1
• Canonical SMILES: CNCc1onc(n1)C1CC1
• InChI: InChI=1S/C7H11N3O/c1-8-4-6-9-7(10-11-6)5-2-3-5/h5,8H,2-4H2,1H3
• InChIKey: UXYMIZJTYJBFGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1036471-29-0
• MDL Number: MFCD11116694
• PubChem SID: 160997822
• PubChem CID: 25219496

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.87397236
• LogD (pH = 7.4): 0.5411554
• Log P: 0.7112445
• Molar Refractivity: 41.2727 cm^3
• Polarizability: 15.3942585 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