2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethan-1-amine

• ChemBase ID: 309419
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(noc1CCN)C1CC1
• Canonical SMILES: NCCc1onc(n1)C1CC1
• InChI: InChI=1S/C7H11N3O/c8-4-3-6-9-7(10-11-6)5-1-2-5/h5H,1-4,8H2
• InChIKey: VOEMFJWEONPRDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethan-1-amine
• IUPAC Traditional name: 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine
• Synonyms: 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine

Database IDs

• CAS Number: 952283-54-4
• MDL Number: MFCD11121014

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5754082
• LogD (pH = 7.4): -1.261626
• Log P: 0.51012397
• Molar Refractivity: 41.1975 cm^3
• Polarizability: 15.320623 Å^3
• Polar Surface Area: 64.94 Å^2