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

C18H17FN4O3S — CID 92569569

IUPAC2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C18H17FN4O3S/c19-15-6-1-7-16(10-15)27(24,25)23-9-3-5-14(12-23)18-22-21-17(26-18)13-4-2-8-20-11-13/h1-2,4,6-8,10-11,14H,3,5,9,12H2/t14-/m1/s1
InChIKeyMFSXHPJGKNHIPZ-CQSZACIVSA-N
MW388.42 g/mol
LogP2.84
Rot. Bonds4

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

2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 92569569) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID92569569
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1
InChIInChI=1S/C18H17FN4O3S/c19-15-6-1-7-16(10-15)27(24,25)23-9-3-5-14(12-23)18-22-21-17(26-18)13-4-2-8-20-11-13/h1-2,4,6-8,10-11,14H,3,5,9,12H2/t14-/m1/s1
InChIKeyMFSXHPJGKNHIPZ-CQSZACIVSA-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-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570
2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92570977
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110236000
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235508
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559523
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 132675747
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 121069644
2-(4-fluorophenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 121069600
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 121069531
2-(6-methyl-3-pyridinyl)-5-[(3S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 92558970
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 121069649
1-[3-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 121069583

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 92569569) is 2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is O=S(=O)(c1cccc(F)c1)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1.
What is the InChIKey of 2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is MFSXHPJGKNHIPZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c19-15-6-1-7-16(10-15)27(24,25)23-9-3-5-14(12-23)18-22-21-17(26-18)13-4-2-8-20-11-13/h1-2,4,6-8,10-11,14H,3,5,9,12H2/t14-/m1/s1.
What are the key properties of 2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-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-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92569569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).