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5-(2,4-difluorophenoxymethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole

ChemBase ID: 340771
Molecular Formular: C12H12F2N2O3
Molecular Mass: 270.2320864
Monoisotopic Mass: 270.08159869
SMILES and InChIs

SMILES:
n1c(onc1CCOC)COc1c(cc(cc1)F)F
Canonical SMILES:
COCCc1noc(n1)COc1ccc(cc1F)F
InChI:
InChI=1S/C12H12F2N2O3/c1-17-5-4-11-15-12(19-16-11)7-18-10-3-2-8(13)6-9(10)14/h2-3,6H,4-5,7H2,1H3
InChIKey:
ABXGJVGQNHDWFF-UHFFFAOYSA-N

Cite this record

CBID:340771 http://www.chembase.cn/molecule-340771.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2,4-difluorophenoxymethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
IUPAC Traditional name
5-(2,4-difluorophenoxymethyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
Synonyms
5-[(2,4-difluorophenoxy)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13925962 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.256931  LogD (pH = 7.4) 2.256931 
Log P 2.256931  Molar Refractivity 63.2869 cm3
Polarizability 23.285297 Å3 Polar Surface Area 57.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.56  LOG S -2.5 
Polar Surface Area 57.38 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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