5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole

C9H8BrN3O — CID 118348740

IUPAC5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(-c2cc(Br)ccn2)n1
InChIInChI=1S/C9H8BrN3O/c1-2-8-12-9(14-13-8)7-5-6(10)3-4-11-7/h3-5H,2H2,1H3
InChIKeyLCDWNYZMQQHLLM-UHFFFAOYSA-N
MW254.09 g/mol
LogP2.46
Rot. Bonds2

About 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole

5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 118348740) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole
PubChem CID118348740
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(-c2cc(Br)ccn2)n1
InChIInChI=1S/C9H8BrN3O/c1-2-8-12-9(14-13-8)7-5-6(10)3-4-11-7/h3-5H,2H2,1H3
InChIKeyLCDWNYZMQQHLLM-UHFFFAOYSA-N
XLogP2.46
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole 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 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole (CID 118348740) is 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole is CCc1noc(-c2cc(Br)ccn2)n1.
What is the InChIKey of 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is LCDWNYZMQQHLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-2-8-12-9(14-13-8)7-5-6(10)3-4-11-7/h3-5H,2H2,1H3.
What are the key properties of 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole?
5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 254.09 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 118348740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).