2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole

C13H13BrN4O — CID 57356976

IUPAC2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESCC(C)(C)c1nnc2ccc(-c3cnc(Br)o3)cn12
InChIInChI=1S/C13H13BrN4O/c1-13(2,3)11-17-16-10-5-4-8(7-18(10)11)9-6-15-12(14)19-9/h4-7H,1-3H3
InChIKeyZWEOTVCGVQAIOO-UHFFFAOYSA-N
MW321.18 g/mol
LogP3.44
Rot. Bonds1

About 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole

2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (PubChem CID 57356976) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
PubChem CID57356976
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESCC(C)(C)c1nnc2ccc(-c3cnc(Br)o3)cn12
InChIInChI=1S/C13H13BrN4O/c1-13(2,3)11-17-16-10-5-4-8(7-18(10)11)9-6-15-12(14)19-9/h4-7H,1-3H3
InChIKeyZWEOTVCGVQAIOO-UHFFFAOYSA-N
XLogP3.44
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (CID 57356976) is 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is CC(C)(C)c1nnc2ccc(-c3cnc(Br)o3)cn12.
What is the InChIKey of 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The InChIKey is ZWEOTVCGVQAIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-13(2,3)11-17-16-10-5-4-8(7-18(10)11)9-6-15-12(14)19-9/h4-7H,1-3H3.
What are the key properties of 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole has a molecular weight of 321.18 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is sourced from PubChem (CID 57356976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).