N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide

C19H17FN6O2 — CID 91893223

IUPACN-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide
SMILESCCc1noc(-c2ccn3c(CNC(=O)Cc4cccc(F)c4)nnc3c2)n1
InChIInChI=1S/C19H17FN6O2/c1-2-15-22-19(28-25-15)13-6-7-26-16(10-13)23-24-17(26)11-21-18(27)9-12-4-3-5-14(20)8-12/h3-8,10H,2,9,11H2,1H3,(H,21,27)
InChIKeyWXAWMIAFFWXLHP-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.34
Rot. Bonds6

About N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide

N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 91893223) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide
PubChem CID91893223
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC NameN-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide
SMILESCCc1noc(-c2ccn3c(CNC(=O)Cc4cccc(F)c4)nnc3c2)n1
InChIInChI=1S/C19H17FN6O2/c1-2-15-22-19(28-25-15)13-6-7-26-16(10-13)23-24-17(26)11-21-18(27)9-12-4-3-5-14(20)8-12/h3-8,10H,2,9,11H2,1H3,(H,21,27)
InChIKeyWXAWMIAFFWXLHP-UHFFFAOYSA-N
XLogP2.34
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide (CID 91893223) is N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide is CCc1noc(-c2ccn3c(CNC(=O)Cc4cccc(F)c4)nnc3c2)n1.
What is the InChIKey of N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is WXAWMIAFFWXLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-2-15-22-19(28-25-15)13-6-7-26-16(10-13)23-24-17(26)11-21-18(27)9-12-4-3-5-14(20)8-12/h3-8,10H,2,9,11H2,1H3,(H,21,27).
What are the key properties of N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide?
N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 380.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 91893223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).