Home > Compound List > Compound details
5006-20-2 molecular structure
click picture or here to close

5-ethoxy-4-methyl-1,3-oxazole

ChemBase ID: 798450
Molecular Formular: C6H9NO2
Molecular Mass: 127.14116
Monoisotopic Mass: 127.06332853
SMILES and InChIs

SMILES:
o1cnc(c1OCC)C
Canonical SMILES:
CCOc1ocnc1C
InChI:
InChI=1S/C6H9NO2/c1-3-8-6-5(2)7-4-9-6/h4H,3H2,1-2H3
InChIKey:
FWPDSAJKWKRRJD-UHFFFAOYSA-N

Cite this record

CBID:798450 http://www.chembase.cn/molecule-798450.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethoxy-4-methyl-1,3-oxazole
IUPAC Traditional name
5-ethoxy-4-methyl-1,3-oxazole
Synonyms
5-ethoxy-4-methyloxazole
CAS Number
5006-20-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.33493447  LogD (pH = 7.4) 0.33493507 
Log P 0.33493507  Molar Refractivity 31.824 cm3
Polarizability 12.479616 Å3 Polar Surface Area 35.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
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