2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine hydrochloride

• ChemBase ID: 249118
• Molecular Formular: C7H12ClN3O2
• Molecular Mass: 205.64208
• Monoisotopic Mass: 205.06180432
• SMILES: c1(nc(on1)C)C1OCCNC1.Cl
• Canonical SMILES: Cc1onc(n1)C1CNCCO1.Cl
• InChI: InChI=1S/C7H11N3O2.ClH/c1-5-9-7(10-12-5)6-4-8-2-3-11-6;/h6,8H,2-4H2,1H3;1H
• InChIKey: ADQGKSTZYMOJKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine hydrochloride
• IUPAC Traditional name: 2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine hydrochloride
• Synonyms: 2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine hydrochloride

Database IDs

• PubChem SID: 164305028
• PubChem CID: 71758668

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0970666
• LogD (pH = 7.4): -0.46914145
• Log P: -0.1218324
• Molar Refractivity: 42.6933 cm^3
• Polarizability: 16.136751 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): -1.229

Product Information

• Purity: 95%