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2-(2-methoxyphenyl)-5-methyl-4-{pyrazolo[1,5-a]pyridin-7-ylmethyl}-1,3-oxazole

ChemBase ID: 320401
Molecular Formular: C19H17N3O2
Molecular Mass: 319.35718
Monoisotopic Mass: 319.1320768
SMILES and InChIs

SMILES:
c1(nc(c(o1)C)Cc1n2c(ccn2)ccc1)c1c(OC)cccc1
Canonical SMILES:
COc1ccccc1c1oc(c(n1)Cc1cccc2n1ncc2)C
InChI:
InChI=1S/C19H17N3O2/c1-13-17(12-15-7-5-6-14-10-11-20-22(14)15)21-19(24-13)16-8-3-4-9-18(16)23-2/h3-11H,12H2,1-2H3
InChIKey:
SWOMXHPEDJYNOU-UHFFFAOYSA-N

Cite this record

CBID:320401 http://www.chembase.cn/molecule-320401.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-methoxyphenyl)-5-methyl-4-{pyrazolo[1,5-a]pyridin-7-ylmethyl}-1,3-oxazole
IUPAC Traditional name
2-(2-methoxyphenyl)-5-methyl-4-{pyrazolo[1,5-a]pyridin-7-ylmethyl}-1,3-oxazole
Synonyms
7-{[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}pyrazolo[1,5-a]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) 3.3973382  LogD (pH = 7.4) 3.3974445 
Log P 3.3974457  Molar Refractivity 112.5927 cm3
Polarizability 35.85274 Å3 Polar Surface Area 52.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.0  LOG S -4.95 
Polar Surface Area 52.56 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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