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

C14H9BrN4O2 — CID 5057534

IUPAC4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccn2)o1)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN4O2/c15-10-6-4-9(5-7-10)12(20)17-14-19-18-13(21-14)11-3-1-2-8-16-11/h1-8H,(H,17,19,20)
InChIKeyDBSVFOFEGIHFRV-UHFFFAOYSA-N
MW345.16 g/mol
LogP3.15
Rot. Bonds3

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

4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 5057534) has the molecular formula C14H9BrN4O2 and a molecular weight of 345.16 g/mol. Its IUPAC name is 4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID5057534
Molecular FormulaC14H9BrN4O2
Molecular Weight345.16 g/mol
Exact Mass343.99
IUPAC Name4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccn2)o1)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN4O2/c15-10-6-4-9(5-7-10)12(20)17-14-19-18-13(21-14)11-3-1-2-8-16-11/h1-8H,(H,17,19,20)
InChIKeyDBSVFOFEGIHFRV-UHFFFAOYSA-N
XLogP3.15
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
3-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4296584
3-chloro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4056807
4-cyano-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4097143
N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 4084501
2-fluoro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4123514
N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)propionamide
CID 4184793
3-phenyl-N-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7100775
5-(4-bromophenyl)-N-pyrimidin-2-yl-1,3,4-oxadiazol-2-amine
CID 162661810
3-bromo-N-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 5103347
US11390631, Example 25
CID 134461130
US11390631, Example 23
CID 134461303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 5057534) is 4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccn2)o1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is DBSVFOFEGIHFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O2/c15-10-6-4-9(5-7-10)12(20)17-14-19-18-13(21-14)11-3-1-2-8-16-11/h1-8H,(H,17,19,20).
What are the key properties of 4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 345.16 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 5057534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).