5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide

C17H10BrN3O3S — CID 1157987

IUPAC5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrN3O3S/c18-14-8-7-12(23-14)16(22)19-11-5-3-10(4-6-11)15-20-17(24-21-15)13-2-1-9-25-13/h1-9H,(H,19,22)
InChIKeyOGMNSRTXLOAKOG-UHFFFAOYSA-N
MW416.26 g/mol
LogP5.07
Rot. Bonds4

About 5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide (PubChem CID 1157987) has the molecular formula C17H10BrN3O3S and a molecular weight of 416.26 g/mol. Its IUPAC name is 5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
PubChem CID1157987
Molecular FormulaC17H10BrN3O3S
Molecular Weight416.26 g/mol
Exact Mass414.96
IUPAC Name5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrN3O3S/c18-14-8-7-12(23-14)16(22)19-11-5-3-10(4-6-11)15-20-17(24-21-15)13-2-1-9-25-13/h1-9H,(H,19,22)
InChIKeyOGMNSRTXLOAKOG-UHFFFAOYSA-N
XLogP5.07
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]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-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide (CID 1157987) is 5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is OGMNSRTXLOAKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O3S/c18-14-8-7-12(23-14)16(22)19-11-5-3-10(4-6-11)15-20-17(24-21-15)13-2-1-9-25-13/h1-9H,(H,19,22).
What are the key properties of 5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 416.26 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1157987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).