4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one

C23H25N5O4S — CID 146525626

IUPAC4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
SMILESCc1ccc(-c2noc(N3CCN(S(=O)(=O)c4ccc(C5CNC(=O)C5)cc4)CC3)n2)cc1
InChIInChI=1S/C23H25N5O4S/c1-16-2-4-18(5-3-16)22-25-23(32-26-22)27-10-12-28(13-11-27)33(30,31)20-8-6-17(7-9-20)19-14-21(29)24-15-19/h2-9,19H,10-15H2,1H3,(H,24,29)
InChIKeyFJJNYLROMFWUCL-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.16
Rot. Bonds5

About 4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one

4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one (PubChem CID 146525626) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
PubChem CID146525626
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Name4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
SMILESCc1ccc(-c2noc(N3CCN(S(=O)(=O)c4ccc(C5CNC(=O)C5)cc4)CC3)n2)cc1
InChIInChI=1S/C23H25N5O4S/c1-16-2-4-18(5-3-16)22-25-23(32-26-22)27-10-12-28(13-11-27)33(30,31)20-8-6-17(7-9-20)19-14-21(29)24-15-19/h2-9,19H,10-15H2,1H3,(H,24,29)
InChIKeyFJJNYLROMFWUCL-UHFFFAOYSA-N
XLogP2.16
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 42558865
5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075221
3-(cyclopropylmethyl)-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385082
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 93071671
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
3-(chloromethyl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385233
5-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075347
5-(3,5-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075313
5-(3-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075263
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 53138346

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one (CID 146525626) is 4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one is Cc1ccc(-c2noc(N3CCN(S(=O)(=O)c4ccc(C5CNC(=O)C5)cc4)CC3)n2)cc1.
What is the InChIKey of 4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is FJJNYLROMFWUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-16-2-4-18(5-3-16)22-25-23(32-26-22)27-10-12-28(13-11-27)33(30,31)20-8-6-17(7-9-20)19-14-21(29)24-15-19/h2-9,19H,10-15H2,1H3,(H,24,29).
What are the key properties of 4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one?
4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 467.55 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 146525626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).