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

• ChemBase ID: 273056
• Molecular Formular: C15H17N3O
• Molecular Mass: 255.31498
• Monoisotopic Mass: 255.13716218
• SMILES: c1(C2C3(C2)CCNCC3)oc(nn1)c1ccccc1
• Canonical SMILES: N1CCC2(CC1)CC2c1nnc(o1)c1ccccc1
• InChI: InChI=1S/C15H17N3O/c1-2-4-11(5-3-1)13-17-18-14(19-13)12-10-15(12)6-8-16-9-7-15/h1-5,12,16H,6-10H2
• InChIKey: RSGKCFLEXQWOQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20501902
• PubChem SID: 164328966
• PubChem CID: 54592736

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9014577
• LogD (pH = 7.4): -1.4270453
• Log P: 1.3294387
• Molar Refractivity: 84.179 cm^3
• Polarizability: 28.596527 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.977

Product Information

• Purity: 95%