5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide

C8H6BrN3O3 — CID 47045422

IUPAC5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
SMILESCc1noc(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C8H6BrN3O3/c1-4-10-8(15-12-4)11-7(13)5-2-3-6(9)14-5/h2-3H,1H3,(H,10,11,12,13)
InChIKeyVPSBLJAXOXJGBT-UHFFFAOYSA-N
MW272.06 g/mol
LogP1.99
Rot. Bonds2

About 5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide

5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide (PubChem CID 47045422) has the molecular formula C8H6BrN3O3 and a molecular weight of 272.06 g/mol. Its IUPAC name is 5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
PubChem CID47045422
Molecular FormulaC8H6BrN3O3
Molecular Weight272.06 g/mol
Exact Mass270.96
IUPAC Name5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
SMILESCc1noc(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C8H6BrN3O3/c1-4-10-8(15-12-4)11-7(13)5-2-3-6(9)14-5/h2-3H,1H3,(H,10,11,12,13)
InChIKeyVPSBLJAXOXJGBT-UHFFFAOYSA-N
XLogP1.99
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.06
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide 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-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide (CID 47045422) is 5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide is Cc1noc(NC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide?
The InChIKey is VPSBLJAXOXJGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O3/c1-4-10-8(15-12-4)11-7(13)5-2-3-6(9)14-5/h2-3H,1H3,(H,10,11,12,13).
What are the key properties of 5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide?
5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide has a molecular weight of 272.06 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 47045422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).