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

C16H11ClFN5O — CID 53173319

IUPAC5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCCc1nnc2ccc(-c3noc(-c4cc(Cl)ccc4F)n3)cn12
InChIInChI=1S/C16H11ClFN5O/c1-2-13-20-21-14-6-3-9(8-23(13)14)15-19-16(24-22-15)11-7-10(17)4-5-12(11)18/h3-8H,2H2,1H3
InChIKeyKBAYMMVFOYQKLR-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.80
Rot. Bonds3

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

5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 53173319) has the molecular formula C16H11ClFN5O and a molecular weight of 343.75 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID53173319
Molecular FormulaC16H11ClFN5O
Molecular Weight343.75 g/mol
Exact Mass343.06
IUPAC Name5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCCc1nnc2ccc(-c3noc(-c4cc(Cl)ccc4F)n3)cn12
InChIInChI=1S/C16H11ClFN5O/c1-2-13-20-21-14-6-3-9(8-23(13)14)15-19-16(24-22-15)11-7-10(17)4-5-12(11)18/h3-8H,2H2,1H3
InChIKeyKBAYMMVFOYQKLR-UHFFFAOYSA-N
XLogP3.80
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 53173319) is 5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is CCc1nnc2ccc(-c3noc(-c4cc(Cl)ccc4F)n3)cn12.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is KBAYMMVFOYQKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5O/c1-2-13-20-21-14-6-3-9(8-23(13)14)15-19-16(24-22-15)11-7-10(17)4-5-12(11)18/h3-8H,2H2,1H3.
What are the key properties of 5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 343.75 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53173319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).