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

C17H24N4O4S — CID 118385016

IUPAC3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(C(C)(C)C)no3)CC2)cc1
InChIInChI=1S/C17H24N4O4S/c1-17(2,3)15-18-16(25-19-15)20-9-11-21(12-10-20)26(22,23)14-7-5-13(24-4)6-8-14/h5-8H,9-12H2,1-4H3
InChIKeyHRLZAKXOGHCTKM-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.89
Rot. Bonds4

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

3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole (PubChem CID 118385016) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
PubChem CID118385016
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc(C(C)(C)C)no3)CC2)cc1
InChIInChI=1S/C17H24N4O4S/c1-17(2,3)15-18-16(25-19-15)20-9-11-21(12-10-20)26(22,23)14-7-5-13(24-4)6-8-14/h5-8H,9-12H2,1-4H3
InChIKeyHRLZAKXOGHCTKM-UHFFFAOYSA-N
XLogP1.89
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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
3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384865
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
3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384909
3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole
CID 67457434
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole (CID 118385016) is 3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole is COc1ccc(S(=O)(=O)N2CCN(c3nc(C(C)(C)C)no3)CC2)cc1.
What is the InChIKey of 3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The InChIKey is HRLZAKXOGHCTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-17(2,3)15-18-16(25-19-15)20-9-11-21(12-10-20)26(22,23)14-7-5-13(24-4)6-8-14/h5-8H,9-12H2,1-4H3.
What are the key properties of 3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole has a molecular weight of 380.47 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 118385016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).