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934236-40-5 molecular structure
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methyl 2-amino-1,3-oxazole-5-carboxylate

ChemBase ID: 64295
Molecular Formular: C5H6N2O3
Molecular Mass: 142.11274
Monoisotopic Mass: 142.03784206
SMILES and InChIs

SMILES:
c1(oc(nc1)N)C(=O)OC
Canonical SMILES:
COC(=O)c1cnc(o1)N
InChI:
InChI=1S/C5H6N2O3/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3,(H2,6,7)
InChIKey:
VQBWVCIAVLMOOS-UHFFFAOYSA-N

Cite this record

CBID:64295 http://www.chembase.cn/molecule-64295.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-amino-1,3-oxazole-5-carboxylate
IUPAC Traditional name
methyl 2-amino-1,3-oxazole-5-carboxylate
Synonyms
2-Amino-5-(methoxycarbonyl)-1,3-oxazole
Methyl 2-amino-1,3-oxazole-5-carboxylate
Methyl 2-aminooxazole-5-carboxylate
CAS Number
934236-40-5
MDL Number
MFCD09265526
PubChem SID
162030034
PubChem CID
26370180

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 26370180 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.2492895  H Acceptors
H Donor LogD (pH = 5.5) -0.30606627 
LogD (pH = 7.4) -0.3060613  Log P -0.30606067 
Molar Refractivity 32.8439 cm3 Polarizability 12.064893 Å3
Polar Surface Area 78.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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