5-cyclopentyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 34608
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1nc(oc1C1CCCC1)N
• Canonical SMILES: Nc1nnc(o1)C1CCCC1
• InChI: InChI=1S/C7H11N3O/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)
• InChIKey: ZMMAKUGJTOHVRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopentyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-cyclopentyl-1,3,4-oxadiazol-2-amine
• Synonyms: 5-Cyclopentyl-1,3,4-oxadiazol-2-amine

Database IDs

• CAS Number: 90221-15-1
• MDL Number: MFCD09806418
• PubChem SID: 160997915
• PubChem CID: 20117955

CALCULATED PROPERTIES

• Acid pKa: 12.863551
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.602007
• LogD (pH = 7.4): 0.60200644
• Log P: 0.60200787
• Molar Refractivity: 42.1992 cm^3
• Polarizability: 15.02862 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false