1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C15H11BrFN3O2 — CID 22576891

IUPAC1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cncc(Br)c2)OC1c1ccc(F)cc1
InChIInChI=1S/C15H11BrFN3O2/c1-9(21)20-15(10-2-4-13(17)5-3-10)22-14(19-20)11-6-12(16)8-18-7-11/h2-8,15H,1H3
InChIKeyGAHVZSJHCZDYSY-UHFFFAOYSA-N
MW364.17 g/mol
LogP3.22
Rot. Bonds2

About 1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 22576891) has the molecular formula C15H11BrFN3O2 and a molecular weight of 364.17 g/mol. Its IUPAC name is 1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID22576891
Molecular FormulaC15H11BrFN3O2
Molecular Weight364.17 g/mol
Exact Mass363.00
IUPAC Name1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cncc(Br)c2)OC1c1ccc(F)cc1
InChIInChI=1S/C15H11BrFN3O2/c1-9(21)20-15(10-2-4-13(17)5-3-10)22-14(19-20)11-6-12(16)8-18-7-11/h2-8,15H,1H3
InChIKeyGAHVZSJHCZDYSY-UHFFFAOYSA-N
XLogP3.22
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 22576891) is 1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2cncc(Br)c2)OC1c1ccc(F)cc1.
What is the InChIKey of 1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is GAHVZSJHCZDYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O2/c1-9(21)20-15(10-2-4-13(17)5-3-10)22-14(19-20)11-6-12(16)8-18-7-11/h2-8,15H,1H3.
What are the key properties of 1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 364.17 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 22576891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).