2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H10FN5O2 — CID 167936571

IUPAC2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2nnc(-c3cccc(F)c3)o2)nc2ccccn12
InChIInChI=1S/C15H10FN5O2/c16-11-5-3-4-10(8-11)14-18-17-13(23-14)9-21-15(22)20-7-2-1-6-12(20)19-21/h1-8H,9H2
InChIKeyYGBAYVXOUOIKJK-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.73
Rot. Bonds3

About 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 167936571) has the molecular formula C15H10FN5O2 and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID167936571
Molecular FormulaC15H10FN5O2
Molecular Weight311.28 g/mol
Exact Mass311.08
IUPAC Name2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2nnc(-c3cccc(F)c3)o2)nc2ccccn12
InChIInChI=1S/C15H10FN5O2/c16-11-5-3-4-10(8-11)14-18-17-13(23-14)9-21-15(22)20-7-2-1-6-12(20)19-21/h1-8H,9H2
InChIKeyYGBAYVXOUOIKJK-UHFFFAOYSA-N
XLogP1.73
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 167936571) is 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(Cc2nnc(-c3cccc(F)c3)o2)nc2ccccn12.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YGBAYVXOUOIKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O2/c16-11-5-3-4-10(8-11)14-18-17-13(23-14)9-21-15(22)20-7-2-1-6-12(20)19-21/h1-8H,9H2.
What are the key properties of 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 311.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 167936571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).