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

C16H13BrN4O2 — CID 110320517

IUPAC4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nnc(-c2ccccn2)o1)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O2/c17-12-6-4-11(5-7-12)15(22)19-10-8-14-20-21-16(23-14)13-3-1-2-9-18-13/h1-7,9H,8,10H2,(H,19,22)
InChIKeyOSXIYPAIDVEKKW-UHFFFAOYSA-N
MW373.21 g/mol
LogP2.87
Rot. Bonds5

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

4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (PubChem CID 110320517) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
PubChem CID110320517
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nnc(-c2ccccn2)o1)c1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O2/c17-12-6-4-11(5-7-12)15(22)19-10-8-14-20-21-16(23-14)13-3-1-2-9-18-13/h1-7,9H,8,10H2,(H,19,22)
InChIKeyOSXIYPAIDVEKKW-UHFFFAOYSA-N
XLogP2.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320533
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251
2-(4-methylphenoxy)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320557
2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanol
CID 83530769
2-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318527
N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330217
2-methyl-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 55043837
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330318
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
N-phenyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330293
N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide
CID 110321211
2-methyl-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110318515

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (CID 110320517) is 4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is O=C(NCCc1nnc(-c2ccccn2)o1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The InChIKey is OSXIYPAIDVEKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-12-6-4-11(5-7-12)15(22)19-10-8-14-20-21-16(23-14)13-3-1-2-9-18-13/h1-7,9H,8,10H2,(H,19,22).
What are the key properties of 4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide has a molecular weight of 373.21 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110320517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).