3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

C23H28N4O4S — CID 24627197

IUPAC3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)cc1
InChIInChI=1S/C23H28N4O4S/c1-3-4-18-5-11-21(12-6-18)32(28,29)27-15-13-26(14-16-27)17-22-24-23(25-31-22)19-7-9-20(30-2)10-8-19/h5-12H,3-4,13-17H2,1-2H3
InChIKeyMOCIISJPNVMISH-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.20
Rot. Bonds8

About 3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 24627197) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID24627197
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)cc1
InChIInChI=1S/C23H28N4O4S/c1-3-4-18-5-11-21(12-6-18)32(28,29)27-15-13-26(14-16-27)17-22-24-23(25-31-22)19-7-9-20(30-2)10-8-19/h5-12H,3-4,13-17H2,1-2H3
InChIKeyMOCIISJPNVMISH-UHFFFAOYSA-N
XLogP3.20
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 29115553
6-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24627201
3-propan-2-yl-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55525035
3-(4-methoxyphenyl)-5-[[4-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55689416
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 17493708
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-one
CID 39686604
5-[[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16608383
3-(4-ethylphenyl)-5-[(4-piperidin-1-ylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 60597298
5-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 43056133
5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 32873847
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
2-(4-chlorophenyl)sulfonyl-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 24614338

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 24627197) is 3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is CCCc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is MOCIISJPNVMISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-3-4-18-5-11-21(12-6-18)32(28,29)27-15-13-26(14-16-27)17-22-24-23(25-31-22)19-7-9-20(30-2)10-8-19/h5-12H,3-4,13-17H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 456.57 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 24627197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).