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

• ChemBase ID: 309388
• Molecular Formular: C9H15N3O
• Molecular Mass: 181.2349
• Monoisotopic Mass: 181.12151212
• SMILES: n1c(onc1CCN)C1CCCC1
• Canonical SMILES: NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C9H15N3O/c10-6-5-8-11-9(13-12-8)7-3-1-2-4-7/h7H,1-6,10H2
• InChIKey: VBEBAQBCSWGMAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1244803-69-7
• MDL Number: MFCD14630265

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7523825
• LogD (pH = 7.4): -0.49041766
• Log P: 1.3506024
• Molar Refractivity: 50.3995 cm^3
• Polarizability: 18.983541 Å^3
• Polar Surface Area: 64.94 Å^2