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

• ChemBase ID: 62894
• Molecular Formular: C8H14ClN3O2
• Molecular Mass: 219.66866
• Monoisotopic Mass: 219.07745438
• SMILES: c1(nc(no1)C)C1(OCCNC1)C.Cl
• Canonical SMILES: CC1(CNCCO1)c1nc(no1)C.Cl
• InChI: InChI=1S/C8H13N3O2.ClH/c1-6-10-7(13-11-6)8(2)5-9-3-4-12-8;/h9H,3-5H2,1-2H3;1H
• InChIKey: QYBOUHHTMAYKOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606154
• PubChem SID: 162028633
• PubChem CID: 71298886

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9262373
• LogD (pH = 7.4): -0.26029
• Log P: 0.14710954
• Molar Refractivity: 47.4066 cm^3
• Polarizability: 17.959316 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false