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1-(4-{[3-(2-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}phenyl)-1H-pyrazole

ChemBase ID: 510213
Molecular Formular: C22H19FN4O
Molecular Mass: 374.4108632
Monoisotopic Mass: 374.15428947
SMILES and InChIs

SMILES:
c12c(noc1CCN(C2)Cc1ccc(n2nccc2)cc1)c1c(F)cccc1
Canonical SMILES:
Fc1ccccc1c1noc2c1CN(CC2)Cc1ccc(cc1)n1cccn1
InChI:
InChI=1S/C22H19FN4O/c23-20-5-2-1-4-18(20)22-19-15-26(13-10-21(19)28-25-22)14-16-6-8-17(9-7-16)27-12-3-11-24-27/h1-9,11-12H,10,13-15H2
InChIKey:
NKUQXPLIFNDGNI-UHFFFAOYSA-N

Cite this record

CBID:510213 http://www.chembase.cn/molecule-510213.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-{[3-(2-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}phenyl)-1H-pyrazole
IUPAC Traditional name
1-(4-{[3-(2-fluorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl}phenyl)pyrazole
Synonyms
3-(2-fluorophenyl)-5-[4-(1H-pyrazol-1-yl)benzyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.9211652  LogD (pH = 7.4) 3.591437 
Log P 3.9964454  Molar Refractivity 107.2951 cm3
Polarizability 41.67459 Å3 Polar Surface Area 47.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.1  LOG S -4.7 
Polar Surface Area 47.09 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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