5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C17H16ClN5O3S — CID 4644145

IUPAC5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc(-c3cnccn3)no2)CC1
InChIInChI=1S/C17H16ClN5O3S/c18-13-1-3-14(4-2-13)27(24,25)23-9-5-12(6-10-23)17-21-16(22-26-17)15-11-19-7-8-20-15/h1-4,7-8,11-12H,5-6,9-10H2
InChIKeyWFODLEPCKBXMLJ-UHFFFAOYSA-N
MW405.87 g/mol
LogP2.75
Rot. Bonds4

About 5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 4644145) has the molecular formula C17H16ClN5O3S and a molecular weight of 405.87 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID4644145
Molecular FormulaC17H16ClN5O3S
Molecular Weight405.87 g/mol
Exact Mass405.07
IUPAC Name5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc(-c3cnccn3)no2)CC1
InChIInChI=1S/C17H16ClN5O3S/c18-13-1-3-14(4-2-13)27(24,25)23-9-5-12(6-10-23)17-21-16(22-26-17)15-11-19-7-8-20-15/h1-4,7-8,11-12H,5-6,9-10H2
InChIKeyWFODLEPCKBXMLJ-UHFFFAOYSA-N
XLogP2.75
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.87
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 42585119
5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 42585120
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 53006809
3-[5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 53006013
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 650498
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687
5-piperidin-4-yl-3-pyrazin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119948500
5-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324632
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
[4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120892568
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1456856

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 4644145) is 5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc(-c3cnccn3)no2)CC1.
What is the InChIKey of 5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is WFODLEPCKBXMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3S/c18-13-1-3-14(4-2-13)27(24,25)23-9-5-12(6-10-23)17-21-16(22-26-17)15-11-19-7-8-20-15/h1-4,7-8,11-12H,5-6,9-10H2.
What are the key properties of 5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 405.87 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 4644145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).