5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole

C14H8FN5O — CID 53173197

IUPAC5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc4nncn4c3)no2)cc1
InChIInChI=1S/C14H8FN5O/c15-11-4-1-9(2-5-11)14-17-13(19-21-14)10-3-6-12-18-16-8-20(12)7-10/h1-8H
InChIKeyJWCKAMDNGBEGSB-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.59
Rot. Bonds2

About 5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole

5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 53173197) has the molecular formula C14H8FN5O and a molecular weight of 281.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID53173197
Molecular FormulaC14H8FN5O
Molecular Weight281.25 g/mol
Exact Mass281.07
IUPAC Name5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc4nncn4c3)no2)cc1
InChIInChI=1S/C14H8FN5O/c15-11-4-1-9(2-5-11)14-17-13(19-21-14)10-3-6-12-18-16-8-20(12)7-10/h1-8H
InChIKeyJWCKAMDNGBEGSB-UHFFFAOYSA-N
XLogP2.59
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 53173197) is 5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(-c3ccc4nncn4c3)no2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is JWCKAMDNGBEGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5O/c15-11-4-1-9(2-5-11)14-17-13(19-21-14)10-3-6-12-18-16-8-20(12)7-10/h1-8H.
What are the key properties of 5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 281.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53173197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).