2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide

C13H8BrN3O2S — CID 7709568

IUPAC2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
SMILESO=C(Nc1nonc1-c1cccs1)c1ccccc1Br
InChIInChI=1S/C13H8BrN3O2S/c14-9-5-2-1-4-8(9)13(18)15-12-11(16-19-17-12)10-6-3-7-20-10/h1-7H,(H,15,17,18)
InChIKeyFUHMICAGEZUTOK-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.81
Rot. Bonds3

About 2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide

2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide (PubChem CID 7709568) has the molecular formula C13H8BrN3O2S and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
PubChem CID7709568
Molecular FormulaC13H8BrN3O2S
Molecular Weight350.20 g/mol
Exact Mass348.95
IUPAC Name2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
SMILESO=C(Nc1nonc1-c1cccs1)c1ccccc1Br
InChIInChI=1S/C13H8BrN3O2S/c14-9-5-2-1-4-8(9)13(18)15-12-11(16-19-17-12)10-6-3-7-20-10/h1-7H,(H,15,17,18)
InChIKeyFUHMICAGEZUTOK-UHFFFAOYSA-N
XLogP3.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7711079
2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4078289
2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 1299946
3-methoxy-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7711035
5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
CID 17013485
2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 23559743
2-(4-ethylphenoxy)-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)acetamide
CID 7711231
2-bromo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 5151763
2-bromo-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
CID 60659313
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide
CID 19244494
N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
CID 7708593
2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 11097996

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide?
The IUPAC name of 2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide (CID 7709568) is 2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide is O=C(Nc1nonc1-c1cccs1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide?
The InChIKey is FUHMICAGEZUTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2S/c14-9-5-2-1-4-8(9)13(18)15-12-11(16-19-17-12)10-6-3-7-20-10/h1-7H,(H,15,17,18).
What are the key properties of 2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide?
2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide has a molecular weight of 350.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 7709568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).