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

• ChemBase ID: 249087
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: c1(nc(on1)C)C1CN(Cc2ccccc2)CCO1
• Canonical SMILES: Cc1onc(n1)C1OCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C14H17N3O2/c1-11-15-14(16-19-11)13-10-17(7-8-18-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
• InChIKey: OQOQDUXGGAKVMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304997
• PubChem CID: 71758659

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2450399
• LogD (pH = 7.4): 1.986214
• Log P: 2.0119643
• Molar Refractivity: 72.6006 cm^3
• Polarizability: 27.493002 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.068

Product Information

• Purity: 95%