2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid

C14H15N5O3 — CID 66485077

IUPAC2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
SMILESCC(C)(C)c1noc(-c2ccn3c(CC(=O)O)nnc3c2)n1
InChIInChI=1S/C14H15N5O3/c1-14(2,3)13-15-12(22-18-13)8-4-5-19-9(6-8)16-17-10(19)7-11(20)21/h4-6H,7H2,1-3H3,(H,20,21)
InChIKeyMYKHLYUGDBWEHH-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.70
Rot. Bonds3

About 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid

2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid (PubChem CID 66485077) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
PubChem CID66485077
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
SMILESCC(C)(C)c1noc(-c2ccn3c(CC(=O)O)nnc3c2)n1
InChIInChI=1S/C14H15N5O3/c1-14(2,3)13-15-12(22-18-13)8-4-5-19-9(6-8)16-17-10(19)7-11(20)21/h4-6H,7H2,1-3H3,(H,20,21)
InChIKeyMYKHLYUGDBWEHH-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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Related Compounds

2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide
CID 53179506
N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179489
N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179517
2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105459905
1,3,5-trimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
CID 91631843
N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179452
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide
CID 91893207
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
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 91631873
N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclobutanecarboxamide
CID 91893260
ethyl 4-[[7-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperazine-1-carboxylate
CID 91893364
2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53179438

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid (CID 66485077) is 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid is CC(C)(C)c1noc(-c2ccn3c(CC(=O)O)nnc3c2)n1.
What is the InChIKey of 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
The InChIKey is MYKHLYUGDBWEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-14(2,3)13-15-12(22-18-13)8-4-5-19-9(6-8)16-17-10(19)7-11(20)21/h4-6H,7H2,1-3H3,(H,20,21).
What are the key properties of 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid?
2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-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-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 66485077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).