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

• ChemBase ID: 245253
• Molecular Formular: C6H10ClN3O2
• Molecular Mass: 191.6155
• Monoisotopic Mass: 191.04615426
• SMILES: c1(ncon1)C1NCCOC1.Cl
• Canonical SMILES: C1CNC(CO1)c1nocn1.Cl
• InChI: InChI=1S/C6H9N3O2.ClH/c1-2-10-3-5(7-1)6-8-4-11-9-6;/h4-5,7H,1-3H2;1H
• InChIKey: IXXUORWSWZALSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD23144029
• PubChem SID: 164301163
• PubChem CID: 71757675

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5226431
• LogD (pH = 7.4): -0.36218125
• Log P: -0.3596987
• Molar Refractivity: 38.2526 cm^3
• Polarizability: 14.391371 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -1.498

Product Information

• Purity: 95%