5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole

C14H16N4OS — CID 46575369

IUPAC5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CSc2ncc3ccccn23)no1
InChIInChI=1S/C14H16N4OS/c1-14(2,3)12-16-11(17-19-12)9-20-13-15-8-10-6-4-5-7-18(10)13/h4-8H,9H2,1-3H3
InChIKeyIHZZLJBLTSFWCM-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.31
Rot. Bonds3

About 5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole

5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 46575369) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID46575369
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CSc2ncc3ccccn23)no1
InChIInChI=1S/C14H16N4OS/c1-14(2,3)12-16-11(17-19-12)9-20-13-15-8-10-6-4-5-7-18(10)13/h4-8H,9H2,1-3H3
InChIKeyIHZZLJBLTSFWCM-UHFFFAOYSA-N
XLogP3.31
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 46575369) is 5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole is CC(C)(C)c1nc(CSc2ncc3ccccn23)no1.
What is the InChIKey of 5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is IHZZLJBLTSFWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-14(2,3)12-16-11(17-19-12)9-20-13-15-8-10-6-4-5-7-18(10)13/h4-8H,9H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole?
5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 288.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 46575369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).