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

C18H26N4O4S — CID 110419409

IUPAC2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2nnc(C(C)C)o2)CC1
InChIInChI=1S/C18H26N4O4S/c1-12(2)17-19-20-18(26-17)21-6-8-22(9-7-21)27(23,24)16-11-14(4)13(3)10-15(16)25-5/h10-12H,6-9H2,1-5H3
InChIKeyCHYSAPUEFSXJGI-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.33
Rot. Bonds5

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

2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 110419409) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID110419409
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2nnc(C(C)C)o2)CC1
InChIInChI=1S/C18H26N4O4S/c1-12(2)17-19-20-18(26-17)21-6-8-22(9-7-21)27(23,24)16-11-14(4)13(3)10-15(16)25-5/h10-12H,6-9H2,1-5H3
InChIKeyCHYSAPUEFSXJGI-UHFFFAOYSA-N
XLogP2.33
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.33
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-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419120
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419116
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1085521
4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781297
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669807
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113075483
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110603064
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590318
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 110419409) is 2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole is COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2nnc(C(C)C)o2)CC1.
What is the InChIKey of 2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is CHYSAPUEFSXJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-12(2)17-19-20-18(26-17)21-6-8-22(9-7-21)27(23,24)16-11-14(4)13(3)10-15(16)25-5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 394.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110419409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).