methyl[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]amine hydrochloride

• ChemBase ID: 267598
• Molecular Formular: C15H21ClN2O
• Molecular Mass: 280.79304
• Monoisotopic Mass: 280.13424098
• SMILES: n1c(cc(o1)CCCCCNC)c1ccccc1.Cl
• Canonical SMILES: CNCCCCCc1onc(c1)c1ccccc1.Cl
• InChI: InChI=1S/C15H20N2O.ClH/c1-16-11-7-3-6-10-14-12-15(17-18-14)13-8-4-2-5-9-13;/h2,4-5,8-9,12,16H,3,6-7,10-11H2,1H3;1H
• InChIKey: MCDDAOLFPOVLFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]amine hydrochloride
• IUPAC Traditional name: methyl[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]amine hydrochloride
• Synonyms: methyl[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]amine hydrochloride

Database IDs

• MDL Number: MFCD16547589
• PubChem SID: 164323508
• PubChem CID: 47003049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.08043491
• LogD (pH = 7.4): 0.4258204
• Log P: 3.3156767
• Molar Refractivity: 74.1017 cm^3
• Polarizability: 29.812222 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 2.863

Product Information

• Purity: 95%