1-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine hydrochloride

• ChemBase ID: 286135
• Molecular Formular: C10H18ClN3O
• Molecular Mass: 231.72242
• Monoisotopic Mass: 231.11383989
• SMILES: n1c(noc1C(C)C)C1(N)CCCC1.Cl
• Canonical SMILES: CC(c1onc(n1)C1(N)CCCC1)C.Cl
• InChI: InChI=1S/C10H17N3O.ClH/c1-7(2)8-12-9(13-14-8)10(11)5-3-4-6-10;/h7H,3-6,11H2,1-2H3;1H
• InChIKey: NCCUQRUZDYIJCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21602716
• PubChem SID: 180671666
• PubChem CID: 72154818

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3992469
• LogD (pH = 7.4): 1.3296318
• Log P: 2.0991993
• Molar Refractivity: 54.7533 cm^3
• Polarizability: 20.894043 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234 - 236°C
• Hydrophobicity(logP): 1.105

Product Information

• Purity: 95%