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

C23H19F3N2O4S — CID 157242626

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
SMILESCc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)no1
InChIInChI=1S/C23H19F3N2O4S/c1-15-9-18(27-32-15)11-19(29)14-33(30,31)22-13-28(21-8-3-2-7-20(21)22)12-16-5-4-6-17(10-16)23(24,25)26/h2-10,13H,11-12,14H2,1H3
InChIKeyAVJREBOLAMBOPC-UHFFFAOYSA-N
MW476.48 g/mol
LogP4.59
Rot. Bonds7

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

1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one (PubChem CID 157242626) has the molecular formula C23H19F3N2O4S and a molecular weight of 476.48 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
PubChem CID157242626
Molecular FormulaC23H19F3N2O4S
Molecular Weight476.48 g/mol
Exact Mass476.10
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
SMILESCc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)no1
InChIInChI=1S/C23H19F3N2O4S/c1-15-9-18(27-32-15)11-19(29)14-33(30,31)22-13-28(21-8-3-2-7-20(21)22)12-16-5-4-6-17(10-16)23(24,25)26/h2-10,13H,11-12,14H2,1H3
InChIKeyAVJREBOLAMBOPC-UHFFFAOYSA-N
XLogP4.59
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 157098740
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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one (CID 157242626) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one is Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
The InChIKey is AVJREBOLAMBOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4S/c1-15-9-18(27-32-15)11-19(29)14-33(30,31)22-13-28(21-8-3-2-7-20(21)22)12-16-5-4-6-17(10-16)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-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one has a molecular weight of 476.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one is sourced from PubChem (CID 157242626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).