2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole

C18H18N4O3S — CID 1117979

IUPAC2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(-c2nnc(-c3cccnc3)o2)c1)N1CCCCC1
InChIInChI=1S/C18H18N4O3S/c23-26(24,22-10-2-1-3-11-22)16-8-4-6-14(12-16)17-20-21-18(25-17)15-7-5-9-19-13-15/h4-9,12-13H,1-3,10-11H2
InChIKeyOXXOKNMMPIJAAV-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.97
Rot. Bonds4

About 2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole

2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 1117979) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID1117979
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(-c2nnc(-c3cccnc3)o2)c1)N1CCCCC1
InChIInChI=1S/C18H18N4O3S/c23-26(24,22-10-2-1-3-11-22)16-8-4-6-14(12-16)17-20-21-18(25-17)15-7-5-9-19-13-15/h4-9,12-13H,1-3,10-11H2
InChIKeyOXXOKNMMPIJAAV-UHFFFAOYSA-N
XLogP2.97
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
7-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11674428
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
6-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11587811
4-(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526883
4-(5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526884
4-[5-(2-Methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526891
(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2333827
3-{5-[(1,1-Dioxido-1-benzothiophen-3-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyridine
CID 16484765
4-[5-(6-Methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 156013905
3-{5-[5-(hydrazinocarbonyl)-2,6-dimethylpyridin-3-yl]-1,3,4-oxadiazol-2-yl}-N,N-dimethylbenzenesulfonamide
CID 24747978
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 740477

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 1117979) is 2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is O=S(=O)(c1cccc(-c2nnc(-c3cccnc3)o2)c1)N1CCCCC1.
What is the InChIKey of 2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is OXXOKNMMPIJAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-26(24,22-10-2-1-3-11-22)16-8-4-6-14(12-16)17-20-21-18(25-17)15-7-5-9-19-13-15/h4-9,12-13H,1-3,10-11H2.
What are the key properties of 2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 370.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylsulfonylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 1117979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).