{3-[(naphthalen-2-yloxy)methyl]-1,2,4-oxadiazol-5-yl}methanamine hydrochloride

• ChemBase ID: 124154
• Molecular Formular: C14H14ClN3O2
• Molecular Mass: 291.73286
• Monoisotopic Mass: 291.07745438
• SMILES: n1c(noc1CN)COc1cc2c(cc1)cccc2.Cl
• Canonical SMILES: NCc1onc(n1)COc1ccc2c(c1)cccc2.Cl
• InChI: InChI=1S/C14H13N3O2.ClH/c15-8-14-16-13(17-19-14)9-18-12-6-5-10-3-1-2-4-11(10)7-12;/h1-7H,8-9,15H2;1H
• InChIKey: XGRHARLHFHUXFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(naphthalen-2-yloxy)methyl]-1,2,4-oxadiazol-5-yl}methanamine hydrochloride
• IUPAC Traditional name: {3-[(naphthalen-2-yloxy)methyl]-1,2,4-oxadiazol-5-yl}methanamine hydrochloride
• Synonyms: (3-((naphthalen-2-yloxy)methyl)-1,2,4-oxadiazol-5-yl)methanamine hydrochloride

Database IDs

• PubChem SID: 162218507
• PubChem CID: 51051953

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.49522123
• LogD (pH = 7.4): 1.9176849
• Log P: 2.0931559
• Molar Refractivity: 71.5112 cm^3
• Polarizability: 28.412502 Å^3
• Polar Surface Area: 74.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl