3-{5-methoxy-6H,7H,8H,9H-imidazo[1,2-a]quinazolin-2-yl}-5-methyl-1,2,4-oxadiazole

• ChemBase ID: 129697
• Molecular Formular: C14H15N5O2
• Molecular Mass: 285.3012
• Monoisotopic Mass: 285.12257475
• SMILES: Cc1nc(c2cn3c(nc(OC)c4c3CCCC4)n2)no1
• Canonical SMILES: COc1nc2nc(cn2c2c1CCCC2)c1noc(n1)C
• InChI: InChI=1S/C14H15N5O2/c1-8-15-12(18-21-8)10-7-19-11-6-4-3-5-9(11)13(20-2)17-14(19)16-10/h7H,3-6H2,1-2H3
• InChIKey: OYKONKGGKFFMDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-methoxy-6H,7H,8H,9H-imidazo[1,2-a]quinazolin-2-yl}-5-methyl-1,2,4-oxadiazole
• IUPAC Traditional name: taniplon
• Synonyms: Taniplon

Database IDs

• CAS Number: 106073-01-2
• PubChem SID: 162223986
• PubChem CID: 3086516
• Unique Ingredient Identifier: OKS0I0BBLP
• Wikipedia Title: Taniplon

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.350189
• LogD (pH = 7.4): 2.3502572
• Log P: 2.350258
• Molar Refractivity: 89.1759 cm^3
• Polarizability: 28.621996 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true