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325976-45-2 molecular structure
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2-chloro-[1,3]oxazolo[4,5-b]pyridine

ChemBase ID: 292628
Molecular Formular: C6H3ClN2O
Molecular Mass: 154.55382
Monoisotopic Mass: 153.99339041
SMILES and InChIs

SMILES:
Clc1nc2ncccc2o1
Canonical SMILES:
Clc1nc2c(o1)cccn2
InChI:
InChI=1S/C6H3ClN2O/c7-6-9-5-4(10-6)2-1-3-8-5/h1-3H
InChIKey:
UCXLYNLRJWXAIR-UHFFFAOYSA-N

Cite this record

CBID:292628 http://www.chembase.cn/molecule-292628.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-[1,3]oxazolo[4,5-b]pyridine
IUPAC Traditional name
2-chloro-[1,3]oxazolo[4,5-b]pyridine
Synonyms
2-Chlorooxazolo[4,5-b]pyridine
CAS Number
325976-45-2
PubChem SID
180678159
PubChem CID
22028724

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241479 Please log in.
Data Source Data ID
PubChem 22028724 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3412118  LogD (pH = 7.4) 1.3412119 
Log P 1.3412119  Molar Refractivity 37.1649 cm3
Polarizability 14.3378935 Å3 Polar Surface Area 38.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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