3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one

C15H15F2N3O5S — CID 167859867

IUPAC3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one
SMILESO=C(c1ccccc1S(=O)(=O)C(F)F)N1CCC(c2noc(=O)[nH]2)CC1
InChIInChI=1S/C15H15F2N3O5S/c16-14(17)26(23,24)11-4-2-1-3-10(11)13(21)20-7-5-9(6-8-20)12-18-15(22)25-19-12/h1-4,9,14H,5-8H2,(H,18,19,22)
InChIKeyIZERXSIUICQQKR-UHFFFAOYSA-N
MW387.36 g/mol
LogP1.38
Rot. Bonds4

About 3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one

3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 167859867) has the molecular formula C15H15F2N3O5S and a molecular weight of 387.36 g/mol. Its IUPAC name is 3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID167859867
Molecular FormulaC15H15F2N3O5S
Molecular Weight387.36 g/mol
Exact Mass387.07
IUPAC Name3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one
SMILESO=C(c1ccccc1S(=O)(=O)C(F)F)N1CCC(c2noc(=O)[nH]2)CC1
InChIInChI=1S/C15H15F2N3O5S/c16-14(17)26(23,24)11-4-2-1-3-10(11)13(21)20-7-5-9(6-8-20)12-18-15(22)25-19-12/h1-4,9,14H,5-8H2,(H,18,19,22)
InChIKeyIZERXSIUICQQKR-UHFFFAOYSA-N
XLogP1.38
TPSA113.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one (CID 167859867) is 3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one is O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCC(c2noc(=O)[nH]2)CC1.
What is the InChIKey of 3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is IZERXSIUICQQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O5S/c16-14(17)26(23,24)11-4-2-1-3-10(11)13(21)20-7-5-9(6-8-20)12-18-15(22)25-19-12/h1-4,9,14H,5-8H2,(H,18,19,22).
What are the key properties of 3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one?
3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 387.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 167859867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).