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

C19H19FN4O3S — CID 91907997

IUPAC3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(Cc2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C19H19FN4O3S/c20-16-3-5-17(6-4-16)28(25,26)24-11-1-2-14(13-24)12-18-22-19(27-23-18)15-7-9-21-10-8-15/h3-10,14H,1-2,11-13H2
InChIKeyCFHONBKZKLRETE-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.91
Rot. Bonds5

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

3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 91907997) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID91907997
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(Cc2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C19H19FN4O3S/c20-16-3-5-17(6-4-16)28(25,26)24-11-1-2-14(13-24)12-18-22-19(27-23-18)15-7-9-21-10-8-15/h3-10,14H,1-2,11-13H2
InChIKeyCFHONBKZKLRETE-UHFFFAOYSA-N
XLogP2.91
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 164634616
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 91907991
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106641
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
1-(4-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2983486
[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028528
5-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835872
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;dihydrochloride
CID 171321103
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid
CID 166266451

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole (CID 91907997) is 3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole is O=S(=O)(c1ccc(F)cc1)N1CCCC(Cc2noc(-c3ccncc3)n2)C1.
What is the InChIKey of 3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is CFHONBKZKLRETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c20-16-3-5-17(6-4-16)28(25,26)24-11-1-2-14(13-24)12-18-22-19(27-23-18)15-7-9-21-10-8-15/h3-10,14H,1-2,11-13H2.
What are the key properties of 3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 402.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91907997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).