[3-(2-methoxynaphthalen-1-yl)-1,2-oxazol-5-yl]methanamine hydrochloride

• ChemBase ID: 247981
• Molecular Formular: C15H15ClN2O2
• Molecular Mass: 290.7448
• Monoisotopic Mass: 290.08220541
• SMILES: c1(noc(c1)CN)c1c2c(ccc1OC)cccc2.Cl
• Canonical SMILES: COc1ccc2c(c1c1noc(c1)CN)cccc2.Cl
• InChI: InChI=1S/C15H14N2O2.ClH/c1-18-14-7-6-10-4-2-3-5-12(10)15(14)13-8-11(9-16)19-17-13;/h2-8H,9,16H2,1H3;1H
• InChIKey: FUBZNBFHXXANPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-methoxynaphthalen-1-yl)-1,2-oxazol-5-yl]methanamine hydrochloride
• IUPAC Traditional name: [3-(2-methoxynaphthalen-1-yl)-1,2-oxazol-5-yl]methanamine hydrochloride
• Synonyms: [3-(2-methoxynaphthalen-1-yl)-1,2-oxazol-5-yl]methanamine hydrochloride

Database IDs

• PubChem SID: 164303891
• PubChem CID: 71758354

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.092856616
• LogD (pH = 7.4): 1.7632525
• Log P: 2.248442
• Molar Refractivity: 73.5285 cm^3
• Polarizability: 30.729292 Å^3
• Polar Surface Area: 61.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 1.81

Product Information

• Purity: 95%