3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide

C10H9BrN2O4S — CID 71980978

IUPAC3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc(-c3ccc(Br)o3)no2)C1
InChIInChI=1S/C10H9BrN2O4S/c11-8-2-1-7(16-8)9-12-10(17-13-9)6-3-4-18(14,15)5-6/h1-2,6H,3-5H2
InChIKeyVOKKBHZNKBTLGU-UHFFFAOYSA-N
MW333.16 g/mol
LogP1.99
Rot. Bonds2

About 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide

3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide (PubChem CID 71980978) has the molecular formula C10H9BrN2O4S and a molecular weight of 333.16 g/mol. Its IUPAC name is 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
PubChem CID71980978
Molecular FormulaC10H9BrN2O4S
Molecular Weight333.16 g/mol
Exact Mass331.95
IUPAC Name3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc(-c3ccc(Br)o3)no2)C1
InChIInChI=1S/C10H9BrN2O4S/c11-8-2-1-7(16-8)9-12-10(17-13-9)6-3-4-18(14,15)5-6/h1-2,6H,3-5H2
InChIKeyVOKKBHZNKBTLGU-UHFFFAOYSA-N
XLogP1.99
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide 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 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide (CID 71980978) is 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide is O=S1(=O)CCC(c2nc(-c3ccc(Br)o3)no2)C1.
What is the InChIKey of 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
The InChIKey is VOKKBHZNKBTLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O4S/c11-8-2-1-7(16-8)9-12-10(17-13-9)6-3-4-18(14,15)5-6/h1-2,6H,3-5H2.
What are the key properties of 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide has a molecular weight of 333.16 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 71980978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).