2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone

C24H28N4O4S — CID 70269998

IUPAC2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(-c4noc(C)n4)c3)CC2)cc1
InChIInChI=1S/C24H28N4O4S/c1-3-5-19-8-10-22(11-9-19)33(30,31)28-14-12-27(13-15-28)23(29)17-20-6-4-7-21(16-20)24-25-18(2)32-26-24/h4,6-11,16H,3,5,12-15,17H2,1-2H3
InChIKeyOVFKIPWCAKZMLV-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.07
Rot. Bonds7

About 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone

2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 70269998) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID70269998
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(-c4noc(C)n4)c3)CC2)cc1
InChIInChI=1S/C24H28N4O4S/c1-3-5-19-8-10-22(11-9-19)33(30,31)28-14-12-27(13-15-28)23(29)17-20-6-4-7-21(16-20)24-25-18(2)32-26-24/h4,6-11,16H,3,5,12-15,17H2,1-2H3
InChIKeyOVFKIPWCAKZMLV-UHFFFAOYSA-N
XLogP3.07
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-one
CID 18382260
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53033532
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-(3-methoxyphenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53041871
2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119686738
3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429151
(3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119686746
N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877565
3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 24627197
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 55972850

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 70269998) is 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(-c4noc(C)n4)c3)CC2)cc1.
What is the InChIKey of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is OVFKIPWCAKZMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-3-5-19-8-10-22(11-9-19)33(30,31)28-14-12-27(13-15-28)23(29)17-20-6-4-7-21(16-20)24-25-18(2)32-26-24/h4,6-11,16H,3,5,12-15,17H2,1-2H3.
What are the key properties of 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone?
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 468.58 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 70269998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).