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158178-93-9 molecular structure
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1,3-oxazole-5-carboxamide

ChemBase ID: 811997
Molecular Formular: C4H4N2O2
Molecular Mass: 112.08676
Monoisotopic Mass: 112.02727738
SMILES and InChIs

SMILES:
o1cncc1C(=O)N
Canonical SMILES:
NC(=O)c1cnco1
InChI:
InChI=1S/C4H4N2O2/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)
InChIKey:
MXNFUCNDPLBTMF-UHFFFAOYSA-N

Cite this record

CBID:811997 http://www.chembase.cn/molecule-811997.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-oxazole-5-carboxamide
IUPAC Traditional name
1,3-oxazole-5-carboxamide
Synonyms
OXAZOLE-5-CARBOXYLIC ACID AMIDE
CAS Number
158178-93-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31671 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31671 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.97972  H Acceptors
H Donor LogD (pH = 5.5) -1.3142203 
LogD (pH = 7.4) -1.3141193  Log P -1.3142214 
Molar Refractivity 25.7233 cm3 Polarizability 9.312917 Å3
Polar Surface Area 69.12 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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