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113853-16-0 molecular structure
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ethyl 2-amino-1,3-oxazole-5-carboxylate

ChemBase ID: 89932
Molecular Formular: C6H8N2O3
Molecular Mass: 156.13932
Monoisotopic Mass: 156.05349213
SMILES and InChIs

SMILES:
n1c(N)oc(c1)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1cnc(o1)N
InChI:
InChI=1S/C6H8N2O3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)
InChIKey:
UHUDJKCNXFBBHU-UHFFFAOYSA-N

Cite this record

CBID:89932 http://www.chembase.cn/molecule-89932.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-amino-1,3-oxazole-5-carboxylate
IUPAC Traditional name
ethyl 2-amino-1,3-oxazole-5-carboxylate
Synonyms
Ethyl 2-aminooxazole-5-carboxylate
5-(Ethoxycarbonyl)-1,3-oxazol-2-amine
Ethyl 2-amino-1,3-oxazole-5-carboxylate 95%
ethyl 2-amino-1,3-oxazole-5-carboxylate
CAS Number
113853-16-0
MDL Number
MFCD06657433
PubChem SID
162076787
PubChem CID
5260193

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.245279  H Acceptors
H Donor LogD (pH = 5.5) 0.050740402 
LogD (pH = 7.4) 0.050746623  Log P 0.050747294 
Molar Refractivity 37.5925 cm3 Polarizability 13.869423 Å3
Polar Surface Area 78.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
151-153°C expand Show data source
Storage Warning
Irritant expand Show data source
Purity
95+% expand Show data source
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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