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139443-40-6 molecular structure
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ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate

ChemBase ID: 806541
Molecular Formular: C7H10N2O3
Molecular Mass: 170.1659
Monoisotopic Mass: 170.06914219
SMILES and InChIs

SMILES:
o1nc(nc1C(=O)OCC)CC
Canonical SMILES:
CCOC(=O)c1onc(n1)CC
InChI:
InChI=1S/C7H10N2O3/c1-3-5-8-6(12-9-5)7(10)11-4-2/h3-4H2,1-2H3
InChIKey:
BHPIMJOELWDAGZ-UHFFFAOYSA-N

Cite this record

CBID:806541 http://www.chembase.cn/molecule-806541.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate
IUPAC Traditional name
ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate
Synonyms
ETHYL 3-ETHYL-1,2,4-OXADIAZOLE-5-CARBOXYLATE
CAS Number
139443-40-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24254 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24254 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7542481  LogD (pH = 7.4) 1.7542481 
Log P 1.3542482  Molar Refractivity 42.1765 cm3
Polarizability 15.462694 Å3 Polar Surface Area 65.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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