5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole

C7H5BrN2OS — CID 75365488

IUPAC5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccsc2Br)n1
InChIInChI=1S/C7H5BrN2OS/c1-4-9-7(11-10-4)5-2-3-12-6(5)8/h2-3H,1H3
InChIKeyYSEGDMVBZMNWOR-UHFFFAOYSA-N
MW245.10 g/mol
LogP2.87
Rot. Bonds1

About 5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole

5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 75365488) has the molecular formula C7H5BrN2OS and a molecular weight of 245.10 g/mol. Its IUPAC name is 5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID75365488
Molecular FormulaC7H5BrN2OS
Molecular Weight245.10 g/mol
Exact Mass243.93
IUPAC Name5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccsc2Br)n1
InChIInChI=1S/C7H5BrN2OS/c1-4-9-7(11-10-4)5-2-3-12-6(5)8/h2-3H,1H3
InChIKeyYSEGDMVBZMNWOR-UHFFFAOYSA-N
XLogP2.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-bromothiophen-3-yl)-3-methyl-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-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole (CID 75365488) is 5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ccsc2Br)n1.
What is the InChIKey of 5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is YSEGDMVBZMNWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2OS/c1-4-9-7(11-10-4)5-2-3-12-6(5)8/h2-3H,1H3.
What are the key properties of 5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole?
5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 245.10 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 75365488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).