2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid

C14H15N5O3 — CID 53337689

IUPAC2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
SMILESCC(C)(C)c1nc(-c2cccn3c(CC(=O)O)nnc23)no1
InChIInChI=1S/C14H15N5O3/c1-14(2,3)13-15-11(18-22-13)8-5-4-6-19-9(7-10(20)21)16-17-12(8)19/h4-6H,7H2,1-3H3,(H,20,21)
InChIKeyJGRBIKPAHPNKEA-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.70
Rot. Bonds3

About 2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid

2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid (PubChem CID 53337689) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
PubChem CID53337689
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
SMILESCC(C)(C)c1nc(-c2cccn3c(CC(=O)O)nnc23)no1
InChIInChI=1S/C14H15N5O3/c1-14(2,3)13-15-11(18-22-13)8-5-4-6-19-9(7-10(20)21)16-17-12(8)19/h4-6H,7H2,1-3H3,(H,20,21)
InChIKeyJGRBIKPAHPNKEA-UHFFFAOYSA-N
XLogP1.70
TPSA106.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid (CID 53337689) is 2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid is CC(C)(C)c1nc(-c2cccn3c(CC(=O)O)nnc23)no1.
What is the InChIKey of 2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
The InChIKey is JGRBIKPAHPNKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-14(2,3)13-15-11(18-22-13)8-5-4-6-19-9(7-10(20)21)16-17-12(8)19/h4-6H,7H2,1-3H3,(H,20,21).
What are the key properties of 2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid has a molecular weight of 301.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 53337689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).