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30380-27-9 molecular structure
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5-amino-1,3-oxazole-4-carboxamide

ChemBase ID: 798434
Molecular Formular: C4H5N3O2
Molecular Mass: 127.1014
Monoisotopic Mass: 127.03817642
SMILES and InChIs

SMILES:
o1cnc(c1N)C(=O)N
Canonical SMILES:
NC(=O)c1ncoc1N
InChI:
InChI=1S/C4H5N3O2/c5-3(8)2-4(6)9-1-7-2/h1H,6H2,(H2,5,8)
InChIKey:
YFPOLIPFJALTDR-UHFFFAOYSA-N

Cite this record

CBID:798434 http://www.chembase.cn/molecule-798434.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-amino-1,3-oxazole-4-carboxamide
IUPAC Traditional name
5-amino-1,3-oxazole-4-carboxamide
Synonyms
5-aminooxazole-4-carboxamide
CAS Number
30380-27-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.694674  H Acceptors
H Donor LogD (pH = 5.5) -0.9380113 
LogD (pH = 7.4) -0.93800706  Log P -0.9380071 
Molar Refractivity 29.4275 cm3 Polarizability 10.491771 Å3
Polar Surface Area 95.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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