2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

C18H17FN4O3S — CID 110235508

IUPAC2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC(c2nnc(-c3ccccn3)o2)C1
InChIInChI=1S/C18H17FN4O3S/c19-14-6-3-7-15(11-14)27(24,25)23-10-4-5-13(12-23)17-21-22-18(26-17)16-8-1-2-9-20-16/h1-3,6-9,11,13H,4-5,10,12H2
InChIKeyBDKQBYXACJRIQH-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.84
Rot. Bonds4

About 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 110235508) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID110235508
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC(c2nnc(-c3ccccn3)o2)C1
InChIInChI=1S/C18H17FN4O3S/c19-14-6-3-7-15(11-14)27(24,25)23-10-4-5-13(12-23)17-21-22-18(26-17)16-8-1-2-9-20-16/h1-3,6-9,11,13H,4-5,10,12H2
InChIKeyBDKQBYXACJRIQH-UHFFFAOYSA-N
XLogP2.84
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235511
2-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569569
2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92577744
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559523
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 121069531
2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568392
2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92572274
2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92568226
2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99963554
2-(4-fluorophenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 121069600
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 121069644

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 110235508) is 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is O=S(=O)(c1cccc(F)c1)N1CCCC(c2nnc(-c3ccccn3)o2)C1.
What is the InChIKey of 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is BDKQBYXACJRIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c19-14-6-3-7-15(11-14)27(24,25)23-10-4-5-13(12-23)17-21-22-18(26-17)16-8-1-2-9-20-16/h1-3,6-9,11,13H,4-5,10,12H2.
What are the key properties of 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 388.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 110235508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).