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

C21H21BrN4O3 — CID 51366650

IUPAC2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
SMILESO=C(Cn1cc(-c2nc(-c3cccc(Br)c3)no2)ccc1=O)NC1CCCCC1
InChIInChI=1S/C21H21BrN4O3/c22-16-6-4-5-14(11-16)20-24-21(29-25-20)15-9-10-19(28)26(12-15)13-18(27)23-17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8,13H2,(H,23,27)
InChIKeyQZMROIJBPQUBTD-UHFFFAOYSA-N
MW457.33 g/mol
LogP3.78
Rot. Bonds5

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

2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide (PubChem CID 51366650) has the molecular formula C21H21BrN4O3 and a molecular weight of 457.33 g/mol. Its IUPAC name is 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
PubChem CID51366650
Molecular FormulaC21H21BrN4O3
Molecular Weight457.33 g/mol
Exact Mass456.08
IUPAC Name2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
SMILESO=C(Cn1cc(-c2nc(-c3cccc(Br)c3)no2)ccc1=O)NC1CCCCC1
InChIInChI=1S/C21H21BrN4O3/c22-16-6-4-5-14(11-16)20-24-21(29-25-20)15-9-10-19(28)26(12-15)13-18(27)23-17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8,13H2,(H,23,27)
InChIKeyQZMROIJBPQUBTD-UHFFFAOYSA-N
XLogP3.78
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide with MolForge

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Related Compounds

2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide
CID 51366667
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-ethoxyphenyl)acetamide
CID 51366651
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 51366676
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 38146443
N-cyclohexyl-2-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152407
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-cyanophenyl)acetamide
CID 51366745
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 53137250
N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366790
N-cyclohexyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 46267182
N-[(2-chlorophenyl)methyl]-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366753
2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 51366791
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 46385501

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-cyclohexylacetamide?
The IUPAC name of 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide (CID 51366650) is 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide is O=C(Cn1cc(-c2nc(-c3cccc(Br)c3)no2)ccc1=O)NC1CCCCC1.
What is the InChIKey of 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide?
The InChIKey is QZMROIJBPQUBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O3/c22-16-6-4-5-14(11-16)20-24-21(29-25-20)15-9-10-19(28)26(12-15)13-18(27)23-17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8,13H2,(H,23,27).
What are the key properties of 2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide?
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide has a molecular weight of 457.33 g/mol, XLogP of 3.78, 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-cyclohexylacetamide is sourced from PubChem (CID 51366650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).