Home > Compound List > Compound details
500348-26-5 molecular structure
click picture or here to close

ethyl 5-hydroxy-1,2-oxazole-4-carboxylate

ChemBase ID: 287646
Molecular Formular: C6H7NO4
Molecular Mass: 157.12408
Monoisotopic Mass: 157.03750771
SMILES and InChIs

SMILES:
O=C(c1c(O)onc1)OCC
Canonical SMILES:
CCOC(=O)c1cnoc1O
InChI:
InChI=1S/C6H7NO4/c1-2-10-5(8)4-3-7-11-6(4)9/h3,9H,2H2,1H3
InChIKey:
NLSRQXPNVWEMFC-UHFFFAOYSA-N

Cite this record

CBID:287646 http://www.chembase.cn/molecule-287646.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-hydroxy-1,2-oxazole-4-carboxylate
IUPAC Traditional name
ethyl 5-hydroxy-1,2-oxazole-4-carboxylate
Synonyms
Ethyl 5-hydroxy-4-isoxazolecarboxylate
CAS Number
500348-26-5
MDL Number
MFCD00020816
PubChem SID
180673177
PubChem CID
239539

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD159165 Please log in.
Data Source Data ID
PubChem 239539 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.5801808  H Acceptors
H Donor LogD (pH = 5.5) -0.37762597 
LogD (pH = 7.4) -0.37885892  Log P 1.1338018 
Molar Refractivity 35.5081 cm3 Polarizability 13.394957 Å3
Polar Surface Area 72.56 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle