5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole

C17H11F3N4O3S2 — CID 2745761

IUPAC5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1cc(-c2nc(-c3ccnn3S(=O)(=O)c3cccc(C(F)(F)F)c3)cs2)no1
InChIInChI=1S/C17H11F3N4O3S2/c1-10-7-13(23-27-10)16-22-14(9-28-16)15-5-6-21-24(15)29(25,26)12-4-2-3-11(8-12)17(18,19)20/h2-9H,1H3
InChIKeyLKSIGYAPUBKWOA-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.23
Rot. Bonds4

About 5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole

5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2745761) has the molecular formula C17H11F3N4O3S2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2745761
Molecular FormulaC17H11F3N4O3S2
Molecular Weight440.43 g/mol
Exact Mass440.02
IUPAC Name5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1cc(-c2nc(-c3ccnn3S(=O)(=O)c3cccc(C(F)(F)F)c3)cs2)no1
InChIInChI=1S/C17H11F3N4O3S2/c1-10-7-13(23-27-10)16-22-14(9-28-16)15-5-6-21-24(15)29(25,26)12-4-2-3-11(8-12)17(18,19)20/h2-9H,1H3
InChIKeyLKSIGYAPUBKWOA-UHFFFAOYSA-N
XLogP4.23
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole (CID 2745761) is 5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole is Cc1cc(-c2nc(-c3ccnn3S(=O)(=O)c3cccc(C(F)(F)F)c3)cs2)no1.
What is the InChIKey of 5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is LKSIGYAPUBKWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O3S2/c1-10-7-13(23-27-10)16-22-14(9-28-16)15-5-6-21-24(15)29(25,26)12-4-2-3-11(8-12)17(18,19)20/h2-9H,1H3.
What are the key properties of 5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole?
5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 440.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2745761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).