3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole

C18H10F2N4O — CID 10131828

IUPAC3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3cc(F)cc(-c4cccnc4)c3)n2)nc1
InChIInChI=1S/C18H10F2N4O/c19-14-3-4-16(22-10-14)17-23-18(25-24-17)13-6-12(7-15(20)8-13)11-2-1-5-21-9-11/h1-10H
InChIKeyYTLGPDTYONOOSX-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.14
Rot. Bonds3

About 3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole

3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole (PubChem CID 10131828) has the molecular formula C18H10F2N4O and a molecular weight of 336.30 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole
PubChem CID10131828
Molecular FormulaC18H10F2N4O
Molecular Weight336.30 g/mol
Exact Mass336.08
IUPAC Name3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3cc(F)cc(-c4cccnc4)c3)n2)nc1
InChIInChI=1S/C18H10F2N4O/c19-14-3-4-16(22-10-14)17-23-18(25-24-17)13-6-12(7-15(20)8-13)11-2-1-5-21-9-11/h1-10H
InChIKeyYTLGPDTYONOOSX-UHFFFAOYSA-N
XLogP4.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole (CID 10131828) is 3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(-c3cc(F)cc(-c4cccnc4)c3)n2)nc1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is YTLGPDTYONOOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N4O/c19-14-3-4-16(22-10-14)17-23-18(25-24-17)13-6-12(7-15(20)8-13)11-2-1-5-21-9-11/h1-10H.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole?
3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 336.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-5-(3-fluoro-5-pyridin-3-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 10131828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).