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121432-12-0 molecular structure
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methyl 1,3-oxazole-5-carboxylate

ChemBase ID: 798957
Molecular Formular: C5H5NO3
Molecular Mass: 127.0981
Monoisotopic Mass: 127.02694303
SMILES and InChIs

SMILES:
o1cncc1C(=O)OC
Canonical SMILES:
COC(=O)c1cnco1
InChI:
InChI=1S/C5H5NO3/c1-8-5(7)4-2-6-3-9-4/h2-3H,1H3
InChIKey:
JGJDORZNOSWWDS-UHFFFAOYSA-N

Cite this record

CBID:798957 http://www.chembase.cn/molecule-798957.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1,3-oxazole-5-carboxylate
IUPAC Traditional name
methyl 1,3-oxazole-5-carboxylate
Synonyms
5-oxazolecarboxylic acid methyl ester
CAS Number
121432-12-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12815 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12815 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) -0.16138475  LogD (pH = 7.4) -0.16138472 
Log P -0.16138472  Molar Refractivity 28.6702 cm3
Polarizability 10.889055 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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