Home > Compound List > Compound details
32418-03-4 molecular structure
click picture or here to close

ethyl 5-ethoxy-2-phenyl-1,3-oxazole-4-carboxylate

ChemBase ID: 804431
Molecular Formular: C14H15NO4
Molecular Mass: 261.2732
Monoisotopic Mass: 261.10010797
SMILES and InChIs

SMILES:
o1c(nc(c1OCC)C(=O)OCC)c1ccccc1
Canonical SMILES:
CCOc1oc(nc1C(=O)OCC)c1ccccc1
InChI:
InChI=1S/C14H15NO4/c1-3-17-13(16)11-14(18-4-2)19-12(15-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey:
ZRVCOYITILDISC-UHFFFAOYSA-N

Cite this record

CBID:804431 http://www.chembase.cn/molecule-804431.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-ethoxy-2-phenyl-1,3-oxazole-4-carboxylate
IUPAC Traditional name
ethyl 5-ethoxy-2-phenyl-1,3-oxazole-4-carboxylate
Synonyms
ETHYL 5-ETHOXY-2-PHENYLOXAZOLE-4-CARBOXYLATE
CAS Number
32418-03-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21400 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21400 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) 2.9744704  LogD (pH = 7.4) 2.9744704 
Log P 2.7744703  Molar Refractivity 78.736 cm3
Polarizability 27.236786 Å3 Polar Surface Area 61.56 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