2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole

C17H12BrFN4O2S — CID 154838537

IUPAC2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESFc1ccc(Br)cc1Cc1noc(CCc2nnc(-c3ccsc3)o2)n1
InChIInChI=1S/C17H12BrFN4O2S/c18-12-1-2-13(19)11(7-12)8-14-20-15(25-23-14)3-4-16-21-22-17(24-16)10-5-6-26-9-10/h1-2,5-7,9H,3-4,8H2
InChIKeyVIJGZQWHBAKPRH-UHFFFAOYSA-N
MW435.28 g/mol
LogP4.46
Rot. Bonds6

About 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole

2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole (PubChem CID 154838537) has the molecular formula C17H12BrFN4O2S and a molecular weight of 435.28 g/mol. Its IUPAC name is 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole
PubChem CID154838537
Molecular FormulaC17H12BrFN4O2S
Molecular Weight435.28 g/mol
Exact Mass433.98
IUPAC Name2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESFc1ccc(Br)cc1Cc1noc(CCc2nnc(-c3ccsc3)o2)n1
InChIInChI=1S/C17H12BrFN4O2S/c18-12-1-2-13(19)11(7-12)8-14-20-15(25-23-14)3-4-16-21-22-17(24-16)10-5-6-26-9-10/h1-2,5-7,9H,3-4,8H2
InChIKeyVIJGZQWHBAKPRH-UHFFFAOYSA-N
XLogP4.46
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-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 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole (CID 154838537) is 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole is Fc1ccc(Br)cc1Cc1noc(CCc2nnc(-c3ccsc3)o2)n1.
What is the InChIKey of 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole?
The InChIKey is VIJGZQWHBAKPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4O2S/c18-12-1-2-13(19)11(7-12)8-14-20-15(25-23-14)3-4-16-21-22-17(24-16)10-5-6-26-9-10/h1-2,5-7,9H,3-4,8H2.
What are the key properties of 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole?
2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole has a molecular weight of 435.28 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 154838537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).