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500341-65-1 molecular structure
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2-methyl-1,3-oxazole-4-carbohydrazide

ChemBase ID: 78145
Molecular Formular: C5H7N3O2
Molecular Mass: 141.12798
Monoisotopic Mass: 141.05382648
SMILES and InChIs

SMILES:
O=C(c1coc(n1)C)NN
Canonical SMILES:
Cc1nc(co1)C(=O)NN
InChI:
InChI=1S/C5H7N3O2/c1-3-7-4(2-10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9)
InChIKey:
GBQAWWYOPRFGMG-UHFFFAOYSA-N

Cite this record

CBID:78145 http://www.chembase.cn/molecule-78145.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-1,3-oxazole-4-carbohydrazide
IUPAC Traditional name
2-methyl-1,3-oxazole-4-carbohydrazide
Synonyms
2-Methyl-1,3-oxazole-4-carboxylic acid hydrazide
2-Methyl-1,3-oxazole-4-carbohydrazide
CAS Number
500341-65-1
MDL Number
MFCD11052651
PubChem SID
162042960
PubChem CID
268216

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 268216 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.962692  H Acceptors
H Donor LogD (pH = 5.5) -1.0222466 
LogD (pH = 7.4) -1.0217996  Log P -1.0217831 
Molar Refractivity 34.3986 cm3 Polarizability 12.478613 Å3
Polar Surface Area 81.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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