3-{6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl}-5-methyl-1,2,4-oxadiazole

• ChemBase ID: 127387
• Molecular Formular: C13H15N5O2
• Molecular Mass: 273.2905
• Monoisotopic Mass: 273.12257475
• SMILES: Cc1nc(c2cn3c(nc(OC)c(CC)c3C)n2)no1
• Canonical SMILES: CCc1c(OC)nc2n(c1C)cc(n2)c1noc(n1)C
• InChI: InChI=1S/C13H15N5O2/c1-5-9-7(2)18-6-10(11-14-8(3)20-17-11)15-13(18)16-12(9)19-4/h6H,5H2,1-4H3
• InChIKey: MEBYKPLMXIRYRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl}-5-methyl-1,2,4-oxadiazole
• IUPAC Traditional name: fasiplon
• Synonyms: Fasiplon

Database IDs

• CAS Number: 106100-65-6
• PubChem SID: 162221708
• PubChem CID: 208954
• Unique Ingredient Identifier: XCA050IPGB
• Wikipedia Title: Fasiplon

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3274121
• LogD (pH = 7.4): 2.3274825
• Log P: 2.3274834
• Molar Refractivity: 86.4541 cm^3
• Polarizability: 27.506535 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true