Home > Compound List > Compound details
132089-42-0 molecular structure
click picture or here to close

ethyl 2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate

ChemBase ID: 810928
Molecular Formular: C12H10FNO3
Molecular Mass: 235.2111032
Monoisotopic Mass: 235.06447141
SMILES and InChIs

SMILES:
o1c(nc(c1)C(=O)OCC)c1ccc(cc1)F
Canonical SMILES:
CCOC(=O)c1coc(n1)c1ccc(cc1)F
InChI:
InChI=1S/C12H10FNO3/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKey:
UAXZGKAXBLXDTI-UHFFFAOYSA-N

Cite this record

CBID:810928 http://www.chembase.cn/molecule-810928.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
IUPAC Traditional name
ethyl 2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
Synonyms
2-(4-FLUORO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
CAS Number
132089-42-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29922 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29922 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) 2.8287446  LogD (pH = 7.4) 2.8287446 
Log P 2.6287446  Molar Refractivity 68.4873 cm3
Polarizability 22.57723 Å3 Polar Surface Area 52.33 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

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