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MFCD08056338 molecular structure
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4-(chloromethyl)-2-(furan-3-yl)-5-methyl-1,3-oxazole

ChemBase ID: 92403
Molecular Formular: C9H8ClNO2
Molecular Mass: 197.61832
Monoisotopic Mass: 197.02435618
SMILES and InChIs

SMILES:
o1cc(c2nc(c(o2)C)CCl)cc1
Canonical SMILES:
ClCc1nc(oc1C)c1cocc1
InChI:
InChI=1S/C9H8ClNO2/c1-6-8(4-10)11-9(13-6)7-2-3-12-5-7/h2-3,5H,4H2,1H3
InChIKey:
DPLMWANLVQCTEX-UHFFFAOYSA-N

Cite this record

CBID:92403 http://www.chembase.cn/molecule-92403.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(chloromethyl)-2-(furan-3-yl)-5-methyl-1,3-oxazole
IUPAC Traditional name
4-(chloromethyl)-2-(furan-3-yl)-5-methyl-1,3-oxazole
Synonyms
4-Chloromethyl-5-methyl-2-(furan-3-yl)oxazole 95%
MDL Number
MFCD08056338
PubChem SID
162079101
PubChem CID
26967679

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 26967679 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.948426  LogD (pH = 7.4) 1.9484283 
Log P 1.9484283  Molar Refractivity 58.8768 cm3
Polarizability 18.932951 Å3 Polar Surface Area 39.17 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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