5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine hydrochloride

• ChemBase ID: 250274
• Molecular Formular: C14H20ClN3O2
• Molecular Mass: 297.7805
• Monoisotopic Mass: 297.12440458
• SMILES: n1c(noc1CCCCCN)c1ccc(cc1)OC.Cl
• Canonical SMILES: NCCCCCc1onc(n1)c1ccc(cc1)OC.Cl
• InChI: InChI=1S/C14H19N3O2.ClH/c1-18-12-8-6-11(7-9-12)14-16-13(19-17-14)5-3-2-4-10-15;/h6-9H,2-5,10,15H2,1H3;1H
• InChIKey: NMCGGPZNTHBQBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07703732
• PubChem SID: 164306184
• PubChem CID: 16252297

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6420875
• LogD (pH = 7.4): -0.105734356
• Log P: 2.5569603
• Molar Refractivity: 85.0052 cm^3
• Polarizability: 28.88189 Å^3
• Polar Surface Area: 74.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.132

Product Information

• Purity: 95%
• Salt Data: HCl