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

C15H20N4O5S — CID 110419116

IUPAC2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3nnc(C)o3)CC2)c1
InChIInChI=1S/C15H20N4O5S/c1-11-16-17-15(24-11)18-6-8-19(9-7-18)25(20,21)14-10-12(22-2)4-5-13(14)23-3/h4-5,10H,6-9H2,1-3H3
InChIKeyNGHANANIJITNBF-UHFFFAOYSA-N
MW368.42 g/mol
LogP0.91
Rot. Bonds5

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

2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 110419116) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID110419116
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(c3nnc(C)o3)CC2)c1
InChIInChI=1S/C15H20N4O5S/c1-11-16-17-15(24-11)18-6-8-19(9-7-18)25(20,21)14-10-12(22-2)4-5-13(14)23-3/h4-5,10H,6-9H2,1-3H3
InChIKeyNGHANANIJITNBF-UHFFFAOYSA-N
XLogP0.91
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110603064
2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419120
2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 8804176
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507124
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
CID 42154829
2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110419409
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684880
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 42473952
4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 27477893

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole (CID 110419116) is 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole is COc1ccc(OC)c(S(=O)(=O)N2CCN(c3nnc(C)o3)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is NGHANANIJITNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c1-11-16-17-15(24-11)18-6-8-19(9-7-18)25(20,21)14-10-12(22-2)4-5-13(14)23-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole?
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 368.42 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 110419116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).