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40926-66-7 molecular structure
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[1,3]oxazolo[4,5-b]pyridin-2-amine

ChemBase ID: 308630
Molecular Formular: C6H5N3O
Molecular Mass: 135.1234
Monoisotopic Mass: 135.0432618
SMILES and InChIs

SMILES:
n1c(oc2c1nccc2)N
Canonical SMILES:
Nc1nc2c(o1)cccn2
InChI:
InChI=1S/C6H5N3O/c7-6-9-5-4(10-6)2-1-3-8-5/h1-3H,(H2,7,8,9)
InChIKey:
AVSYPWBWFBPSEU-UHFFFAOYSA-N

Cite this record

CBID:308630 http://www.chembase.cn/molecule-308630.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1,3]oxazolo[4,5-b]pyridin-2-amine
IUPAC Traditional name
[1,3]oxazolo[4,5-b]pyridin-2-amine
Synonyms
[1,3]oxazolo[4,5-b]pyridin-2-amine
CAS Number
40926-66-7
MDL Number
MFCD11110210

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4032518 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.28252113  LogD (pH = 7.4) 0.28252152 
Log P 0.28252158  Molar Refractivity 36.3127 cm3
Polarizability 13.420123 Å3 Polar Surface Area 64.94 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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