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

ChemBase ID: 865807
Molecular Formular: C23H22N4O
Molecular Mass: 370.44698
Monoisotopic Mass: 370.17936134
SMILES and InChIs

SMILES:
c12c(noc1CCN(C2)CCn1nccc1)c1ccc(cc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)c1ccc(cc1)c1noc2c1CN(CC2)CCn1cccn1
InChI:
InChI=1S/C23H22N4O/c1-2-5-18(6-3-1)19-7-9-20(10-8-19)23-21-17-26(14-11-22(21)28-25-23)15-16-27-13-4-12-24-27/h1-10,12-13H,11,14-17H2
InChIKey:
LTIAFYFSBKRCFV-UHFFFAOYSA-N

Cite this record

CBID:865807 http://www.chembase.cn/molecule-865807.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{2-[3-(4-phenylphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethyl}-1H-pyrazole
IUPAC Traditional name
1-{2-[3-(4-phenylphenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethyl}pyrazole
Synonyms
3-biphenyl-4-yl-5-[2-(1H-pyrazol-1-yl)ethyl]-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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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.6469189  LogD (pH = 7.4) 3.376884 
Log P 3.920258  Molar Refractivity 122.233 cm3
Polarizability 44.54364 Å3 Polar Surface Area 47.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.5  LOG S -3.88 
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

INTERNET

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