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

C19H26N4O4S — CID 118384865

IUPAC3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(C4CCCCC4)no3)CC2)cc1
InChIInChI=1S/C19H26N4O4S/c1-26-16-7-9-17(10-8-16)28(24,25)23-13-11-22(12-14-23)19-20-18(21-27-19)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3
InChIKeyYQGVQVUBQUDAGN-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.64
Rot. Bonds5

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

3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole (PubChem CID 118384865) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
PubChem CID118384865
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(C4CCCCC4)no3)CC2)cc1
InChIInChI=1S/C19H26N4O4S/c1-26-16-7-9-17(10-8-16)28(24,25)23-13-11-22(12-14-23)19-20-18(21-27-19)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3
InChIKeyYQGVQVUBQUDAGN-UHFFFAOYSA-N
XLogP2.64
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385016
[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol
CID 118384872
3-(chloromethyl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385233
ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate
CID 126664164
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
5-(4-methoxyphenyl)-3-[(3R)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92678496
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
5-(3-methoxyphenyl)-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 53130806
4-(azepan-1-ylsulfonyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60535047
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole (CID 118384865) is 3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole is COc1ccc(S(=O)(=O)N2CCN(c3nc(C4CCCCC4)no3)CC2)cc1.
What is the InChIKey of 3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The InChIKey is YQGVQVUBQUDAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-26-16-7-9-17(10-8-16)28(24,25)23-13-11-22(12-14-23)19-20-18(21-27-19)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3.
What are the key properties of 3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole has a molecular weight of 406.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 118384865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).