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886362-14-7 molecular structure
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4-(1,3-oxazol-5-yl)benzohydrazide

ChemBase ID: 42753
Molecular Formular: C10H9N3O2
Molecular Mass: 203.19736
Monoisotopic Mass: 203.06947654
SMILES and InChIs

SMILES:
n1coc(c1)c1ccc(C(=O)NN)cc1
Canonical SMILES:
NNC(=O)c1ccc(cc1)c1ocnc1
InChI:
InChI=1S/C10H9N3O2/c11-13-10(14)8-3-1-7(2-4-8)9-5-12-6-15-9/h1-6H,11H2,(H,13,14)
InChIKey:
ZHYJVYAAIVMXIW-UHFFFAOYSA-N

Cite this record

CBID:42753 http://www.chembase.cn/molecule-42753.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1,3-oxazol-5-yl)benzohydrazide
IUPAC Traditional name
4-(1,3-oxazol-5-yl)benzohydrazide
Synonyms
4-(1,3-Oxazol-5-yl)benzoic acid hydrazide
4-(1,3-Oxazol-5-yl)benzenecarbohydrazide
CAS Number
886362-14-7
MDL Number
MFCD08276966
PubChem SID
162047516
PubChem CID
23106716

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23106716 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.933693  H Acceptors
H Donor LogD (pH = 5.5) 0.03569597 
LogD (pH = 7.4) 0.036517687  Log P 0.03652829 
Molar Refractivity 55.3436 cm3 Polarizability 21.518139 Å3
Polar Surface Area 81.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
208 - 210 °C expand Show data source
208-210°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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