[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone

C17H22N4O4S — CID 110396609

IUPAC[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3nnc(C(C)C)o3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-12(2)15-18-19-16(25-15)17(22)20-8-10-21(11-9-20)26(23,24)14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyVCANCCNRGSLVGL-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.65
Rot. Bonds4

About [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 110396609) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID110396609
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3nnc(C(C)C)o3)CC2)cc1
InChIInChI=1S/C17H22N4O4S/c1-12(2)15-18-19-16(25-15)17(22)20-8-10-21(11-9-20)26(23,24)14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyVCANCCNRGSLVGL-UHFFFAOYSA-N
XLogP1.65
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396613
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396633
(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396543
2-[5-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19487778
3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110396603
azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 46393407
4-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 45352246
(2,5-dimethylthiophen-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9368543
(5-methylfuran-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344084
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 110396609) is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nnc(C(C)C)o3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is VCANCCNRGSLVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-12(2)15-18-19-16(25-15)17(22)20-8-10-21(11-9-20)26(23,24)14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 378.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 110396609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).