2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole

C16H22N4O4S — CID 110419120

IUPAC2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(c3nnc(C)o3)CC2)cc1C
InChIInChI=1S/C16H22N4O4S/c1-11-10-15(12(2)9-14(11)23-4)25(21,22)20-7-5-19(6-8-20)16-18-17-13(3)24-16/h9-10H,5-8H2,1-4H3
InChIKeySCWRVBVJZXSRAN-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.51
Rot. Bonds4

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

2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 110419120) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID110419120
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(c3nnc(C)o3)CC2)cc1C
InChIInChI=1S/C16H22N4O4S/c1-11-10-15(12(2)9-14(11)23-4)25(21,22)20-7-5-19(6-8-20)16-18-17-13(3)24-16/h9-10H,5-8H2,1-4H3
InChIKeySCWRVBVJZXSRAN-UHFFFAOYSA-N
XLogP1.51
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110419410
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419116
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110603064
2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110419409
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343397
1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 113081312
3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 119105960
3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyridin-4-ylpyridazine
CID 25283732
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708150
cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818749
[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110328495

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole (CID 110419120) is 2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole is COc1cc(C)c(S(=O)(=O)N2CCN(c3nnc(C)o3)CC2)cc1C.
What is the InChIKey of 2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is SCWRVBVJZXSRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-11-10-15(12(2)9-14(11)23-4)25(21,22)20-7-5-19(6-8-20)16-18-17-13(3)24-16/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 366.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 110419120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).