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

C13H8BrN3O2S — CID 4078289

IUPAC2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccccc1Br
InChIInChI=1S/C13H8BrN3O2S/c14-9-5-2-1-4-8(9)11(18)15-13-17-16-12(19-13)10-6-3-7-20-10/h1-7H,(H,15,17,18)
InChIKeyQMVMFVCTFGGPRA-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.81
Rot. Bonds3

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

2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4078289) has the molecular formula C13H8BrN3O2S and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4078289
Molecular FormulaC13H8BrN3O2S
Molecular Weight350.20 g/mol
Exact Mass348.95
IUPAC Name2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccccc1Br
InChIInChI=1S/C13H8BrN3O2S/c14-9-5-2-1-4-8(9)11(18)15-13-17-16-12(19-13)10-6-3-7-20-10/h1-7H,(H,15,17,18)
InChIKeyQMVMFVCTFGGPRA-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

2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536716
4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
CID 2104460
5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 3688984
2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7709568
4-methyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 45496806
3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536722
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 42110867
4-propan-2-ylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18587122
1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 52906577
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 155235610
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 16821787

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4078289) is 2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccs2)o1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is QMVMFVCTFGGPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2S/c14-9-5-2-1-4-8(9)11(18)15-13-17-16-12(19-13)10-6-3-7-20-10/h1-7H,(H,15,17,18).
What are the key properties of 2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-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-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4078289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).