1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one

C23H19F3N2O5S — CID 158211816

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
SMILESCc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3ccc(OC(F)(F)F)cc3)c3ccccc23)no1
InChIInChI=1S/C23H19F3N2O5S/c1-15-10-17(27-33-15)11-18(29)14-34(30,31)22-13-28(21-5-3-2-4-20(21)22)12-16-6-8-19(9-7-16)32-23(24,25)26/h2-10,13H,11-12,14H2,1H3
InChIKeyGCEBVSNMFMEHGP-UHFFFAOYSA-N
MW492.48 g/mol
LogP4.47
Rot. Bonds8

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one

1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one (PubChem CID 158211816) has the molecular formula C23H19F3N2O5S and a molecular weight of 492.48 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
PubChem CID158211816
Molecular FormulaC23H19F3N2O5S
Molecular Weight492.48 g/mol
Exact Mass492.10
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
SMILESCc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3ccc(OC(F)(F)F)cc3)c3ccccc23)no1
InChIInChI=1S/C23H19F3N2O5S/c1-15-10-17(27-33-15)11-18(29)14-34(30,31)22-13-28(21-5-3-2-4-20(21)22)12-16-6-8-19(9-7-16)32-23(24,25)26/h2-10,13H,11-12,14H2,1H3
InChIKeyGCEBVSNMFMEHGP-UHFFFAOYSA-N
XLogP4.47
TPSA91.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one 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

2-(1-(4-methoxybenzyl)-1H-indol-3-ylsulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 44129594
N-(5-methylisoxazol-3-yl)-2-(1-(4-(trifluoromethoxy)benzyl)-1H-indol-3-ylsulfonyl)acetamide
CID 44129588
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropanamide
CID 44129596
3-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]-1,2,3,6-tetrahydropyridin-4-YL}-1-[(4-methoxyphenyl)methyl]-2-methyl-1H-indole
CID 53012550
4-(2,4-Difluorophenyl)-3-[1-[(2,4-difluorophenyl)methyl]indol-3-yl]sulfonyl-1-(5-methyl-1,2-oxazol-3-yl)butan-2-one
CID 147944345
1-[1-[(2-Fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
CID 148759428
1-[1-[(3-Chloro-2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
CID 157098740
1-[4,6-Difluoro-1-[(3-pyridin-4-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
CID 157136532
1-[4,6-Difluoro-1-[(3-pyridin-3-ylphenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
CID 157136533
1-[1-[(6-Fluoro-3-pyridinyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
CID 157139232
1-(5-Methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
CID 157242626
1-[1-[[3-(3,5-Dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4,6-difluoroindol-3-yl]sulfonyl-3-pyridin-2-ylpropan-2-one
CID 157261295

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one (CID 158211816) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one is Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3ccc(OC(F)(F)F)cc3)c3ccccc23)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
The InChIKey is GCEBVSNMFMEHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O5S/c1-15-10-17(27-33-15)11-18(29)14-34(30,31)22-13-28(21-5-3-2-4-20(21)22)12-16-6-8-19(9-7-16)32-23(24,25)26/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one has a molecular weight of 492.48 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one is sourced from PubChem (CID 158211816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).