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32998-97-3 molecular structure
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ethyl 5-phenyl-1,3-oxazole-4-carboxylate

ChemBase ID: 85962
Molecular Formular: C12H11NO3
Molecular Mass: 217.22064
Monoisotopic Mass: 217.07389322
SMILES and InChIs

SMILES:
n1coc(c1C(=O)OCC)c1ccccc1
Canonical SMILES:
CCOC(=O)c1ncoc1c1ccccc1
InChI:
InChI=1S/C12H11NO3/c1-2-15-12(14)10-11(16-8-13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey:
LFBYYERWTHYROG-UHFFFAOYSA-N

Cite this record

CBID:85962 http://www.chembase.cn/molecule-85962.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-phenyl-1,3-oxazole-4-carboxylate
IUPAC Traditional name
ethyl 5-phenyl-1,3-oxazole-4-carboxylate
Synonyms
5-PHENYL-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
ethyl 5-phenyl-1,3-oxazole-4-carboxylate
CAS Number
32998-97-3
MDL Number
MFCD00085084
PubChem SID
162073078
PubChem CID
2796947

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2796947 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 2.228499 
LogD (pH = 7.4) 2.228499  Log P 2.028499 
Molar Refractivity 58.183 cm3 Polarizability 23.537903 Å3
Polar Surface Area 52.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

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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