5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one

C19H17F3N4O4S — CID 30175663

IUPAC5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C19H17F3N4O4S/c20-19(21,22)14-5-3-4-13(10-14)18-23-16(30-24-18)12-25-11-15(6-7-17(25)27)31(28,29)26-8-1-2-9-26/h3-7,10-11H,1-2,8-9,12H2
InChIKeyXNGBHAGXUNKMCN-UHFFFAOYSA-N
MW454.43 g/mol
LogP2.75
Rot. Bonds5

About 5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one

5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one (PubChem CID 30175663) has the molecular formula C19H17F3N4O4S and a molecular weight of 454.43 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
PubChem CID30175663
Molecular FormulaC19H17F3N4O4S
Molecular Weight454.43 g/mol
Exact Mass454.09
IUPAC Name5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C19H17F3N4O4S/c20-19(21,22)14-5-3-4-13(10-14)18-23-16(30-24-18)12-25-11-15(6-7-17(25)27)31(28,29)26-8-1-2-9-26/h3-7,10-11H,1-2,8-9,12H2
InChIKeyXNGBHAGXUNKMCN-UHFFFAOYSA-N
XLogP2.75
TPSA98.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 7893131
5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 134036376
5-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 55487592
[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 46690067
5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 24680085
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 8012203
5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46558716
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
CID 86974733
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904082
3-[3-(trifluoromethyl)phenyl]-5-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121095970
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 33339009
N,N-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 46407078

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The IUPAC name of 5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one (CID 30175663) is 5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
The InChIKey is XNGBHAGXUNKMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O4S/c20-19(21,22)14-5-3-4-13(10-14)18-23-16(30-24-18)12-25-11-15(6-7-17(25)27)31(28,29)26-8-1-2-9-26/h3-7,10-11H,1-2,8-9,12H2.
What are the key properties of 5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one?
5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one has a molecular weight of 454.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one is sourced from PubChem (CID 30175663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).