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

C15H10FN5OS — CID 2504284

IUPAC2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CSc3nnc4ccccn34)o2)cc1
InChIInChI=1S/C15H10FN5OS/c16-11-6-4-10(5-7-11)14-19-18-13(22-14)9-23-15-20-17-12-3-1-2-8-21(12)15/h1-8H,9H2
InChIKeyKFISZVWQMOXGRE-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.21
Rot. Bonds4

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

2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 2504284) has the molecular formula C15H10FN5OS and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID2504284
Molecular FormulaC15H10FN5OS
Molecular Weight327.34 g/mol
Exact Mass327.06
IUPAC Name2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CSc3nnc4ccccn34)o2)cc1
InChIInChI=1S/C15H10FN5OS/c16-11-6-4-10(5-7-11)14-19-18-13(22-14)9-23-15-20-17-12-3-1-2-8-21(12)15/h1-8H,9H2
InChIKeyKFISZVWQMOXGRE-UHFFFAOYSA-N
XLogP3.21
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 2504284) is 2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(CSc3nnc4ccccn34)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is KFISZVWQMOXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5OS/c16-11-6-4-10(5-7-11)14-19-18-13(22-14)9-23-15-20-17-12-3-1-2-8-21(12)15/h1-8H,9H2.
What are the key properties of 2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 327.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2504284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).