3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole

C15H18F3N5O3S — CID 86266091

IUPAC3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESO=S(=O)(CCC(F)(F)F)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C15H18F3N5O3S/c16-15(17,18)3-7-27(24,25)23-6-1-2-11(10-23)8-13-21-14(22-26-13)12-9-19-4-5-20-12/h4-5,9,11H,1-3,6-8,10H2
InChIKeyPWMZQLVYABRRAJ-UHFFFAOYSA-N
MW405.40 g/mol
LogP2.06
Rot. Bonds6

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

3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 86266091) has the molecular formula C15H18F3N5O3S and a molecular weight of 405.40 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID86266091
Molecular FormulaC15H18F3N5O3S
Molecular Weight405.40 g/mol
Exact Mass405.11
IUPAC Name3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESO=S(=O)(CCC(F)(F)F)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C15H18F3N5O3S/c16-15(17,18)3-7-27(24,25)23-6-1-2-11(10-23)8-13-21-14(22-26-13)12-9-19-4-5-20-12/h4-5,9,11H,1-3,6-8,10H2
InChIKeyPWMZQLVYABRRAJ-UHFFFAOYSA-N
XLogP2.06
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 86266091) is 3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole is O=S(=O)(CCC(F)(F)F)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is PWMZQLVYABRRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O3S/c16-15(17,18)3-7-27(24,25)23-6-1-2-11(10-23)8-13-21-14(22-26-13)12-9-19-4-5-20-12/h4-5,9,11H,1-3,6-8,10H2.
What are the key properties of 3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole?
3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 405.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-5-[[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86266091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).