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20662-83-3 molecular structure
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4,5-dimethyl-1,3-oxazole

ChemBase ID: 815585
Molecular Formular: C5H7NO
Molecular Mass: 97.11518
Monoisotopic Mass: 97.05276385
SMILES and InChIs

SMILES:
o1cnc(c1C)C
Canonical SMILES:
Cc1ocnc1C
InChI:
InChI=1S/C5H7NO/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKey:
YVORRVFKHZLJGZ-UHFFFAOYSA-N

Cite this record

CBID:815585 http://www.chembase.cn/molecule-815585.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5-dimethyl-1,3-oxazole
IUPAC Traditional name
4,5-dimethyl-1,3-oxazole
Synonyms
4,5-dimethyloxazole
CAS Number
20662-83-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37921 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37921 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) 0.24604751  LogD (pH = 7.4) 0.24606843 
Log P 0.24606869  Molar Refractivity 26.5086 cm3
Polarizability 9.851818 Å3 Polar Surface Area 26.03 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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