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124999-43-5 molecular structure
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methyl 5-methyl-1,3-oxazole-2-carboxylate

ChemBase ID: 804033
Molecular Formular: C6H7NO3
Molecular Mass: 141.12468
Monoisotopic Mass: 141.04259309
SMILES and InChIs

SMILES:
o1c(ncc1C)C(=O)OC
Canonical SMILES:
COC(=O)c1ncc(o1)C
InChI:
InChI=1S/C6H7NO3/c1-4-3-7-5(10-4)6(8)9-2/h3H,1-2H3
InChIKey:
UHCUNDMASKBAML-UHFFFAOYSA-N

Cite this record

CBID:804033 http://www.chembase.cn/molecule-804033.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 5-methyl-1,3-oxazole-2-carboxylate
IUPAC Traditional name
methyl 5-methyl-1,3-oxazole-2-carboxylate
Synonyms
5-METHYL-2-OXAZOLECARBOXYLIC ACID METHYL ESTER
CAS Number
124999-43-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20821 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20821 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) 0.49572036  LogD (pH = 7.4) 0.4957204 
Log P 0.29572037  Molar Refractivity 33.4196 cm3
Polarizability 12.631924 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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