3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole

C18H22F3N3O3S — CID 46396326

IUPAC3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole
SMILESCCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(CC)CC1
InChIInChI=1S/C18H22F3N3O3S/c1-3-13-5-6-14(15-12-17(27-22-15)18(19,20)21)11-16(13)28(25,26)24-9-7-23(4-2)8-10-24/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyCPONJUFHEFIMHD-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.25
Rot. Bonds5

About 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole

3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 46396326) has the molecular formula C18H22F3N3O3S and a molecular weight of 417.45 g/mol. Its IUPAC name is 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole
PubChem CID46396326
Molecular FormulaC18H22F3N3O3S
Molecular Weight417.45 g/mol
Exact Mass417.13
IUPAC Name3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole
SMILESCCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(CC)CC1
InChIInChI=1S/C18H22F3N3O3S/c1-3-13-5-6-14(15-12-17(27-22-15)18(19,20)21)11-16(13)28(25,26)24-9-7-23(4-2)8-10-24/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyCPONJUFHEFIMHD-UHFFFAOYSA-N
XLogP3.25
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-N-ethyl-1-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]sulfonylpyrrolidine-3-carboxamide
CID 164636970
N-(4-acetylphenyl)-2-ethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396262
3-[5-methyl-4-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 50840234
[2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine
CID 102920270
3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 50840250
N-ethyl-2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396177
4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylmorpholine
CID 50840251
4-[3-(azepan-1-ylsulfonyl)-4-ethylphenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 50763960
2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396220
1-[5-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862042
3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 50840132
1-[4-[4-[2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-3-yl]sulfonylpiperazin-1-yl]phenyl]ethanone
CID 46396367

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole (CID 46396326) is 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole is CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCN(CC)CC1.
What is the InChIKey of 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is CPONJUFHEFIMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3S/c1-3-13-5-6-14(15-12-17(27-22-15)18(19,20)21)11-16(13)28(25,26)24-9-7-23(4-2)8-10-24/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole?
3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 417.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 46396326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).