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106073-01-2 molecular structure
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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 and InChIs

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

Cite this record

CBID:129697 http://www.chembase.cn/molecule-129697.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
106073-01-2
PubChem SID
162223986
PubChem CID
3086516
Unique Ingredient Identifier
OKS0I0BBLP
Wikipedia Title
Taniplon

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.350189  LogD (pH = 7.4) 2.3502572 
Log P 2.350258  Molar Refractivity 89.1759 cm3
Polarizability 28.621996 Å3 Polar Surface Area 78.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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