3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole

C24H20F7N3O3S — CID 89367094

IUPAC3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESCCC(Oc1cc(OCC(F)(F)F)c(C2=NCON2)cc1F)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C24H20F7N3O3S/c1-3-17(20-12(2)33-22(38-20)13-4-6-14(7-5-13)24(29,30)31)37-19-9-18(35-10-23(26,27)28)15(8-16(19)25)21-32-11-36-34-21/h4-9,17H,3,10-11H2,1-2H3,(H,32,34)
InChIKeyZETNUINNSRLXTK-UHFFFAOYSA-N
MW563.50 g/mol
LogP6.99
Rot. Bonds8

About 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole

3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 89367094) has the molecular formula C24H20F7N3O3S and a molecular weight of 563.50 g/mol. Its IUPAC name is 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole
PubChem CID89367094
Molecular FormulaC24H20F7N3O3S
Molecular Weight563.50 g/mol
Exact Mass563.11
IUPAC Name3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESCCC(Oc1cc(OCC(F)(F)F)c(C2=NCON2)cc1F)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C24H20F7N3O3S/c1-3-17(20-12(2)33-22(38-20)13-4-6-14(7-5-13)24(29,30)31)37-19-9-18(35-10-23(26,27)28)15(8-16(19)25)21-32-11-36-34-21/h4-9,17H,3,10-11H2,1-2H3,(H,32,34)
InChIKeyZETNUINNSRLXTK-UHFFFAOYSA-N
XLogP6.99
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.50
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole (CID 89367094) is 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole is CCC(Oc1cc(OCC(F)(F)F)c(C2=NCON2)cc1F)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C.
What is the InChIKey of 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is ZETNUINNSRLXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F7N3O3S/c1-3-17(20-12(2)33-22(38-20)13-4-6-14(7-5-13)24(29,30)31)37-19-9-18(35-10-23(26,27)28)15(8-16(19)25)21-32-11-36-34-21/h4-9,17H,3,10-11H2,1-2H3,(H,32,34).
What are the key properties of 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole?
3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 563.50 g/mol, XLogP of 6.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]-2-(2,2,2-trifluoroethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 89367094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).