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4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one

C16H11F5N4O2 — CID 156525731

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CCc1cnccc1C(F)(F)F
InChIInChI=1S/C16H11F5N4O2/c17-13(18)15-24-23-14(27-15)9-2-5-25(12(26)7-9)6-3-10-8-22-4-1-11(10)16(19,20)21/h1-2,4-5,7-8,13H,3,6H2
InChIKeyAHLVTHWUDMBJDG-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.49
Rot. Bonds5

About 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one (PubChem CID 156525731) has the molecular formula C16H11F5N4O2 and a molecular weight of 386.28 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one
PubChem CID156525731
Molecular FormulaC16H11F5N4O2
Molecular Weight386.28 g/mol
Exact Mass386.08
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CCc1cnccc1C(F)(F)F
InChIInChI=1S/C16H11F5N4O2/c17-13(18)15-24-23-14(27-15)9-2-5-25(12(26)7-9)6-3-10-8-22-4-1-11(10)16(19,20)21/h1-2,4-5,7-8,13H,3,6H2
InChIKeyAHLVTHWUDMBJDG-UHFFFAOYSA-N
XLogP3.49
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one (CID 156525731) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one is O=c1cc(-c2nnc(C(F)F)o2)ccn1CCc1cnccc1C(F)(F)F.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one?
The InChIKey is AHLVTHWUDMBJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N4O2/c17-13(18)15-24-23-14(27-15)9-2-5-25(12(26)7-9)6-3-10-8-22-4-1-11(10)16(19,20)21/h1-2,4-5,7-8,13H,3,6H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one has a molecular weight of 386.28 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one is sourced from PubChem (CID 156525731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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