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51655-71-1 molecular structure
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5-methyl-2-phenyl-1,3-oxazole-4-carbonyl chloride

ChemBase ID: 92496
Molecular Formular: C11H8ClNO2
Molecular Mass: 221.63972
Monoisotopic Mass: 221.02435618
SMILES and InChIs

SMILES:
n1c(c2ccccc2)oc(c1C(=O)Cl)C
Canonical SMILES:
ClC(=O)c1nc(oc1C)c1ccccc1
InChI:
InChI=1S/C11H8ClNO2/c1-7-9(10(12)14)13-11(15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey:
RWVAPUPMWDZLGV-UHFFFAOYSA-N

Cite this record

CBID:92496 http://www.chembase.cn/molecule-92496.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-2-phenyl-1,3-oxazole-4-carbonyl chloride
IUPAC Traditional name
5-methyl-2-phenyl-1,3-oxazole-4-carbonyl chloride
Synonyms
5-methyl-2-phenyl-1,3-oxazole-4-carbonyl chloride
4-(Chlorocarbonyl)-5-methyl-2-phenyl-1,3-oxazole
5-Methyl-2-phenyl-1,3-oxazole-4-carbonyl chloride 97%
CAS Number
51655-71-1
MDL Number
MFCD08271880
PubChem SID
162079194
PubChem CID
318530

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 318530 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7162316  LogD (pH = 7.4) 2.7162316 
Log P 2.7162316  Molar Refractivity 67.7614 cm3
Polarizability 22.125792 Å3 Polar Surface Area 43.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
133-135°C expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Keep Cold/Store under Argon expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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