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

C14H9BrN4O2 — CID 5103347

IUPAC3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)o1)c1cccc(Br)c1
InChIInChI=1S/C14H9BrN4O2/c15-11-5-1-3-9(7-11)12(20)17-14-19-18-13(21-14)10-4-2-6-16-8-10/h1-8H,(H,17,19,20)
InChIKeyXMXGKIKCZIVZEA-UHFFFAOYSA-N
MW345.16 g/mol
LogP3.15
Rot. Bonds3

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

3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 5103347) has the molecular formula C14H9BrN4O2 and a molecular weight of 345.16 g/mol. Its IUPAC name is 3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID5103347
Molecular FormulaC14H9BrN4O2
Molecular Weight345.16 g/mol
Exact Mass343.99
IUPAC Name3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)o1)c1cccc(Br)c1
InChIInChI=1S/C14H9BrN4O2/c15-11-5-1-3-9(7-11)12(20)17-14-19-18-13(21-14)10-4-2-6-16-8-10/h1-8H,(H,17,19,20)
InChIKeyXMXGKIKCZIVZEA-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

3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
3-bromo-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227338
4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5074075
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197
4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4053542
2,5-dichloro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3472142
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
CID 43976145
N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pentanamide
CID 4621791
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43976308
3-bromo-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4092895
4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4072968

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 5103347) is 3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccnc2)o1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is XMXGKIKCZIVZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O2/c15-11-5-1-3-9(7-11)12(20)17-14-19-18-13(21-14)10-4-2-6-16-8-10/h1-8H,(H,17,19,20).
What are the key properties of 3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
3-bromo-N-(5-pyridin-3-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 3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 5103347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).