1-(5-methyl-1,3,4-oxadiazol-2-yl)-6-azaspiro[2.5]octane

• ChemBase ID: 273054
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: c1(C2C3(C2)CCNCC3)nnc(o1)C
• Canonical SMILES: Cc1nnc(o1)C1CC21CCNCC2
• InChI: InChI=1S/C10H15N3O/c1-7-12-13-9(14-7)8-6-10(8)2-4-11-5-3-10/h8,11H,2-6H2,1H3
• InChIKey: DEBJOIFSXQZZDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methyl-1,3,4-oxadiazol-2-yl)-6-azaspiro[2.5]octane
• IUPAC Traditional name: 1-(5-methyl-1,3,4-oxadiazol-2-yl)-6-azaspiro[2.5]octane
• Synonyms: 1-(5-methyl-1,3,4-oxadiazol-2-yl)-6-azaspiro[2.5]octane

Database IDs

• MDL Number: MFCD21602408
• PubChem SID: 164328964
• PubChem CID: 71758742

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8031633
• LogD (pH = 7.4): -3.3287508
• Log P: -0.5722668
• Molar Refractivity: 53.5181 cm^3
• Polarizability: 20.101784 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.852

Product Information

• Purity: 95%