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90831-48-4 molecular structure
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1,3-oxazole-2-carbohydrazide

ChemBase ID: 811994
Molecular Formular: C4H5N3O2
Molecular Mass: 127.1014
Monoisotopic Mass: 127.03817642
SMILES and InChIs

SMILES:
o1c(ncc1)C(=O)NN
Canonical SMILES:
NNC(=O)c1ncco1
InChI:
InChI=1S/C4H5N3O2/c5-7-3(8)4-6-1-2-9-4/h1-2H,5H2,(H,7,8)
InChIKey:
VXJFZRUFEGHQQC-UHFFFAOYSA-N

Cite this record

CBID:811994 http://www.chembase.cn/molecule-811994.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-oxazole-2-carbohydrazide
IUPAC Traditional name
1,3-oxazole-2-carbohydrazide
Synonyms
OXAZOLE-2-CARBOXYLIC ACID HYDRAZIDE
CAS Number
90831-48-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31665 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31665 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.89313  H Acceptors
H Donor LogD (pH = 5.5) -1.1534796 
LogD (pH = 7.4) -1.1531698  Log P -1.1531533 
Molar Refractivity 29.8071 cm3 Polarizability 10.746492 Å3
Polar Surface Area 81.15 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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