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

• ChemBase ID: 307222
• Molecular Formular: C8H15N3O
• Molecular Mass: 169.2242
• Monoisotopic Mass: 169.12151212
• SMILES: n1c(onc1CC)CNC(C)C
• Canonical SMILES: CCc1noc(n1)CNC(C)C
• InChI: InChI=1S/C8H15N3O/c1-4-7-10-8(12-11-7)5-9-6(2)3/h6,9H,4-5H2,1-3H3
• InChIKey: IDWQREWRKBJTBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915922-00-8
• MDL Number: MFCD08691559

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.31724688
• LogD (pH = 7.4): 1.1834748
• Log P: 1.4052958
• Molar Refractivity: 47.6678 cm^3
• Polarizability: 17.943115 Å^3
• Polar Surface Area: 50.95 Å^2