3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole

C22H12F3N3O3S — CID 167812008

IUPAC3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(Oc2ccc(-c3nc(-c4cnc5sccc5c4)no3)cc2)cc1
InChIInChI=1S/C22H12F3N3O3S/c23-22(24,25)30-18-7-5-17(6-8-18)29-16-3-1-13(2-4-16)20-27-19(28-31-20)15-11-14-9-10-32-21(14)26-12-15/h1-12H
InChIKeyZNWSVZACIYBOBA-UHFFFAOYSA-N
MW455.42 g/mol
LogP6.70
Rot. Bonds5

About 3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole

3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 167812008) has the molecular formula C22H12F3N3O3S and a molecular weight of 455.42 g/mol. Its IUPAC name is 3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole
PubChem CID167812008
Molecular FormulaC22H12F3N3O3S
Molecular Weight455.42 g/mol
Exact Mass455.06
IUPAC Name3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(Oc2ccc(-c3nc(-c4cnc5sccc5c4)no3)cc2)cc1
InChIInChI=1S/C22H12F3N3O3S/c23-22(24,25)30-18-7-5-17(6-8-18)29-16-3-1-13(2-4-16)20-27-19(28-31-20)15-11-14-9-10-32-21(14)26-12-15/h1-12H
InChIKeyZNWSVZACIYBOBA-UHFFFAOYSA-N
XLogP6.70
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.42
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-chlorothiophen-2-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 10132392
2-fluoro-4-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 155580349
N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide
CID 162620900
[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
CID 23205017
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509
5-(3-fluoro-4-nitrophenyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 155581554
3-[4-(4-fluorophenoxy)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53103359
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethoxy)aniline
CID 31418029
methyl 4-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 130232626
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 118730579
3-pyrrolidin-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 116629199
2-fluoro-4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136961491

Frequently Asked Questions

What is the IUPAC name of 3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole (CID 167812008) is 3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccc(Oc2ccc(-c3nc(-c4cnc5sccc5c4)no3)cc2)cc1.
What is the InChIKey of 3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is ZNWSVZACIYBOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F3N3O3S/c23-22(24,25)30-18-7-5-17(6-8-18)29-16-3-1-13(2-4-16)20-27-19(28-31-20)15-11-14-9-10-32-21(14)26-12-15/h1-12H.
What are the key properties of 3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole?
3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 455.42 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[2,3-b]pyridin-5-yl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167812008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).