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

C18H17F2N5O3S — CID 90642450

IUPAC5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C18H17F2N5O3S/c19-13-7-14(20)9-15(8-13)29(26,27)25-5-1-2-12(11-25)6-17-23-18(24-28-17)16-10-21-3-4-22-16/h3-4,7-10,12H,1-2,5-6,11H2
InChIKeySKFDBJKQIWKNAL-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.45
Rot. Bonds5

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

5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 90642450) has the molecular formula C18H17F2N5O3S and a molecular weight of 421.43 g/mol. Its IUPAC name is 5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID90642450
Molecular FormulaC18H17F2N5O3S
Molecular Weight421.43 g/mol
Exact Mass421.10
IUPAC Name5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C18H17F2N5O3S/c19-13-7-14(20)9-15(8-13)29(26,27)25-5-1-2-12(11-25)6-17-23-18(24-28-17)16-10-21-3-4-22-16/h3-4,7-10,12H,1-2,5-6,11H2
InChIKeySKFDBJKQIWKNAL-UHFFFAOYSA-N
XLogP2.45
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642426
4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonylmorpholine
CID 86266090
5-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 90642465
5-[[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642429
3-pyrazin-2-yl-5-[[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 99994497
5-[[1-(2-ethoxyphenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 90642441
(3,4-difluorophenyl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642211
3-(2-methylphenyl)-5-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]-1,2,4-oxadiazole
CID 86265984
2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642167
N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642397
[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 86266045
[(3S)-oxolan-3-yl]-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99994207

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 90642450) is 5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is O=S(=O)(c1cc(F)cc(F)c1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is SKFDBJKQIWKNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O3S/c19-13-7-14(20)9-15(8-13)29(26,27)25-5-1-2-12(11-25)6-17-23-18(24-28-17)16-10-21-3-4-22-16/h3-4,7-10,12H,1-2,5-6,11H2.
What are the key properties of 5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 421.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 90642450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).