1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

C15H11F2N3O2 — CID 5270584

IUPAC1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1c1c(F)cccc1F
InChIInChI=1S/C15H11F2N3O2/c1-9(21)20-15(13-11(16)3-2-4-12(13)17)22-14(19-20)10-5-7-18-8-6-10/h2-8,15H,1H3
InChIKeyBDZSPSQTUJRHSC-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.60
Rot. Bonds2

About 1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 5270584) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID5270584
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC1c1c(F)cccc1F
InChIInChI=1S/C15H11F2N3O2/c1-9(21)20-15(13-11(16)3-2-4-12(13)17)22-14(19-20)10-5-7-18-8-6-10/h2-8,15H,1H3
InChIKeyBDZSPSQTUJRHSC-UHFFFAOYSA-N
XLogP2.60
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 5270584) is 1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccncc2)OC1c1c(F)cccc1F.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is BDZSPSQTUJRHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c1-9(21)20-15(13-11(16)3-2-4-12(13)17)22-14(19-20)10-5-7-18-8-6-10/h2-8,15H,1H3.
What are the key properties of 1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 303.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 5270584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).