N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide

C18H15FN6O2 — CID 91893122

IUPACN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide
SMILESCCc1noc(-c2cccn3c(CNC(=O)c4ccccc4F)nnc23)n1
InChIInChI=1S/C18H15FN6O2/c1-2-14-21-18(27-24-14)12-7-5-9-25-15(22-23-16(12)25)10-20-17(26)11-6-3-4-8-13(11)19/h3-9H,2,10H2,1H3,(H,20,26)
InChIKeyPZNIYGSWTYLPLJ-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.41
Rot. Bonds5

About N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide

N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide (PubChem CID 91893122) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide
PubChem CID91893122
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC NameN-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide
SMILESCCc1noc(-c2cccn3c(CNC(=O)c4ccccc4F)nnc23)n1
InChIInChI=1S/C18H15FN6O2/c1-2-14-21-18(27-24-14)12-7-5-9-25-15(22-23-16(12)25)10-20-17(26)11-6-3-4-8-13(11)19/h3-9H,2,10H2,1H3,(H,20,26)
InChIKeyPZNIYGSWTYLPLJ-UHFFFAOYSA-N
XLogP2.41
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide (CID 91893122) is N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide is CCc1noc(-c2cccn3c(CNC(=O)c4ccccc4F)nnc23)n1.
What is the InChIKey of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide?
The InChIKey is PZNIYGSWTYLPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-2-14-21-18(27-24-14)12-7-5-9-25-15(22-23-16(12)25)10-20-17(26)11-6-3-4-8-13(11)19/h3-9H,2,10H2,1H3,(H,20,26).
What are the key properties of N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide?
N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide has a molecular weight of 366.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 91893122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).