N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide

C15H12N6O3 — CID 91631866

IUPACN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)c4ccoc4)nnc3c2)n1
InChIInChI=1S/C15H12N6O3/c1-9-17-15(24-20-9)10-2-4-21-12(6-10)18-19-13(21)7-16-14(22)11-3-5-23-8-11/h2-6,8H,7H2,1H3,(H,16,22)
InChIKeyHLFSTVZCODGDEY-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.61
Rot. Bonds4

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

N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide (PubChem CID 91631866) has the molecular formula C15H12N6O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide
PubChem CID91631866
Molecular FormulaC15H12N6O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC NameN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)c4ccoc4)nnc3c2)n1
InChIInChI=1S/C15H12N6O3/c1-9-17-15(24-20-9)10-2-4-21-12(6-10)18-19-13(21)7-16-14(22)11-3-5-23-8-11/h2-6,8H,7H2,1H3,(H,16,22)
InChIKeyHLFSTVZCODGDEY-UHFFFAOYSA-N
XLogP1.61
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide (CID 91631866) is N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide is Cc1noc(-c2ccn3c(CNC(=O)c4ccoc4)nnc3c2)n1.
What is the InChIKey of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is HLFSTVZCODGDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3/c1-9-17-15(24-20-9)10-2-4-21-12(6-10)18-19-13(21)7-16-14(22)11-3-5-23-8-11/h2-6,8H,7H2,1H3,(H,16,22).
What are the key properties of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide?
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 91631866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).