2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole

C18H11F6N3O3S2 — CID 129028475

IUPAC2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
SMILESCCS(=O)(=O)c1c(-c2nc3cc(SC(F)(F)F)ccc3o2)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C18H11F6N3O3S2/c1-2-32(28,29)16-14(26-13-7-9(17(19,20)21)5-6-27(13)16)15-25-11-8-10(31-18(22,23)24)3-4-12(11)30-15/h3-8H,2H2,1H3
InChIKeyWXPJHDJIGNJSOW-UHFFFAOYSA-N
MW495.43 g/mol
LogP5.57
Rot. Bonds4

About 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole

2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole (PubChem CID 129028475) has the molecular formula C18H11F6N3O3S2 and a molecular weight of 495.43 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
PubChem CID129028475
Molecular FormulaC18H11F6N3O3S2
Molecular Weight495.43 g/mol
Exact Mass495.01
IUPAC Name2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
SMILESCCS(=O)(=O)c1c(-c2nc3cc(SC(F)(F)F)ccc3o2)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C18H11F6N3O3S2/c1-2-32(28,29)16-14(26-13-7-9(17(19,20)21)5-6-27(13)16)15-25-11-8-10(31-18(22,23)24)3-4-12(11)30-15/h3-8H,2H2,1H3
InChIKeyWXPJHDJIGNJSOW-UHFFFAOYSA-N
XLogP5.57
TPSA77.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The IUPAC name of 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole (CID 129028475) is 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The canonical SMILES for 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole is CCS(=O)(=O)c1c(-c2nc3cc(SC(F)(F)F)ccc3o2)nc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The InChIKey is WXPJHDJIGNJSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3O3S2/c1-2-32(28,29)16-14(26-13-7-9(17(19,20)21)5-6-27(13)16)15-25-11-8-10(31-18(22,23)24)3-4-12(11)30-15/h3-8H,2H2,1H3.
What are the key properties of 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole has a molecular weight of 495.43 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(trifluoromethylsulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 129028475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).