2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole

C19H25N3O3S — CID 121117192

IUPAC2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCC(c3nnc(C(C)C)o3)CC2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)18-20-21-19(25-18)17-8-11-22(12-9-17)26(23,24)13-10-16-6-4-15(3)5-7-16/h4-7,10,13-14,17H,8-9,11-12H2,1-3H3/b13-10+
InChIKeySOZPIQWITZWHGV-JLHYYAGUSA-N
MW375.49 g/mol
LogP3.68
Rot. Bonds5

About 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole

2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 121117192) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID121117192
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(/C=C/S(=O)(=O)N2CCC(c3nnc(C(C)C)o3)CC2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)18-20-21-19(25-18)17-8-11-22(12-9-17)26(23,24)13-10-16-6-4-15(3)5-7-16/h4-7,10,13-14,17H,8-9,11-12H2,1-3H3/b13-10+
InChIKeySOZPIQWITZWHGV-JLHYYAGUSA-N
XLogP3.68
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine
CID 121151438
1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592460
3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole
CID 71960994
7-(2-chlorophenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-1,4-thiazepane 1,1-dioxide
CID 121193150
4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine
CID 90494156
(1R,5S)-8-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 95986010
4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one
CID 47064565
2-[1-(2-phenylethenylsulfonyl)piperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 71960599
3-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490687
2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 73439255
3-methyl-5-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564387
6-[4-[2-(4-methylphenyl)ethenylsulfonyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 71961435

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 121117192) is 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole is Cc1ccc(/C=C/S(=O)(=O)N2CCC(c3nnc(C(C)C)o3)CC2)cc1.
What is the InChIKey of 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is SOZPIQWITZWHGV-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)18-20-21-19(25-18)17-8-11-22(12-9-17)26(23,24)13-10-16-6-4-15(3)5-7-16/h4-7,10,13-14,17H,8-9,11-12H2,1-3H3/b13-10+.
What are the key properties of 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 375.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 121117192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).