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

• ChemBase ID: 307161
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(noc1C(N)C)C1CC1
• Canonical SMILES: CC(c1onc(n1)C1CC1)N
• InChI: InChI=1S/C7H11N3O/c1-4(8)7-9-6(10-11-7)5-2-3-5/h4-5H,2-3,8H2,1H3
• InChIKey: UGYSUKNDXWQRIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1036527-33-9
• MDL Number: MFCD11117114

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9948757
• LogD (pH = 7.4): 0.56679726
• Log P: 0.8438394
• Molar Refractivity: 40.992 cm^3
• Polarizability: 15.394089 Å^3
• Polar Surface Area: 64.94 Å^2