Home > Compound List > Compound details
 molecular structure
click picture or here to close

3-(oxolan-3-yl)-5-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,4-oxadiazole

ChemBase ID: 341070
Molecular Formular: C14H12F4N2O3
Molecular Mass: 332.2502928
Monoisotopic Mass: 332.07840513
SMILES and InChIs

SMILES:
n1c(c2c(OC(C(F)F)(F)F)cccc2)onc1C1COCC1
Canonical SMILES:
FC(C(Oc1ccccc1c1onc(n1)C1COCC1)(F)F)F
InChI:
InChI=1S/C14H12F4N2O3/c15-13(16)14(17,18)22-10-4-2-1-3-9(10)12-19-11(20-23-12)8-5-6-21-7-8/h1-4,8,13H,5-7H2
InChIKey:
HIIKBSNKXXORDS-UHFFFAOYSA-N

Cite this record

CBID:341070 http://www.chembase.cn/molecule-341070.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(oxolan-3-yl)-5-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,4-oxadiazole
IUPAC Traditional name
3-(oxolan-3-yl)-5-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,4-oxadiazole
Synonyms
5-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13969814 external link Add to cart
Data Source Data ID Price
ChemBridge
13969814 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 18.811531  H Acceptors
H Donor LogD (pH = 5.5) 3.357558 
LogD (pH = 7.4) 3.3575583  Log P 3.3575583 
Molar Refractivity 81.9845 cm3 Polarizability 26.647722 Å3
Polar Surface Area 57.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.73  LOG S -3.95 
Polar Surface Area 57.38 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle