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2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide

C21H14BrClN4O3 — CID 51366667

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide
SMILESO=C(Cn1cc(-c2nc(-c3cccc(Br)c3)no2)ccc1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H14BrClN4O3/c22-15-4-1-3-13(9-15)20-25-21(30-26-20)14-7-8-19(29)27(11-14)12-18(28)24-17-6-2-5-16(23)10-17/h1-11H,12H2,(H,24,28)
InChIKeyNBJIUGLXNXDDRU-UHFFFAOYSA-N
MW485.73 g/mol
LogP4.62
Rot. Bonds5

About 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide

2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide (PubChem CID 51366667) has the molecular formula C21H14BrClN4O3 and a molecular weight of 485.73 g/mol. Its IUPAC name is 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide
PubChem CID51366667
Molecular FormulaC21H14BrClN4O3
Molecular Weight485.73 g/mol
Exact Mass483.99
IUPAC Name2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide
SMILESO=C(Cn1cc(-c2nc(-c3cccc(Br)c3)no2)ccc1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H14BrClN4O3/c22-15-4-1-3-13(9-15)20-25-21(30-26-20)14-7-8-19(29)27(11-14)12-18(28)24-17-6-2-5-16(23)10-17/h1-11H,12H2,(H,24,28)
InChIKeyNBJIUGLXNXDDRU-UHFFFAOYSA-N
XLogP4.62
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.73
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide (CID 51366667) is 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide is O=C(Cn1cc(-c2nc(-c3cccc(Br)c3)no2)ccc1=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide?
The InChIKey is NBJIUGLXNXDDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrClN4O3/c22-15-4-1-3-13(9-15)20-25-21(30-26-20)14-7-8-19(29)27(11-14)12-18(28)24-17-6-2-5-16(23)10-17/h1-11H,12H2,(H,24,28).
What are the key properties of 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide?
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide has a molecular weight of 485.73 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 51366667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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