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

C22H16ClFN4O3 — CID 30849431

IUPAC2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C22H16ClFN4O3/c1-13-4-9-16(24)11-18(13)25-19(29)12-28-10-2-3-17(22(28)30)21-26-20(27-31-21)14-5-7-15(23)8-6-14/h2-11H,12H2,1H3,(H,25,29)
InChIKeyWQFSDTYIAALIQZ-UHFFFAOYSA-N
MW438.85 g/mol
LogP4.30
Rot. Bonds5

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

2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 30849431) has the molecular formula C22H16ClFN4O3 and a molecular weight of 438.85 g/mol. Its IUPAC name is 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID30849431
Molecular FormulaC22H16ClFN4O3
Molecular Weight438.85 g/mol
Exact Mass438.09
IUPAC Name2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C22H16ClFN4O3/c1-13-4-9-16(24)11-18(13)25-19(29)12-28-10-2-3-17(22(28)30)21-26-20(27-31-21)14-5-7-15(23)8-6-14/h2-11H,12H2,1H3,(H,25,29)
InChIKeyWQFSDTYIAALIQZ-UHFFFAOYSA-N
XLogP4.30
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide (CID 30849431) is 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O.
What is the InChIKey of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is WQFSDTYIAALIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O3/c1-13-4-9-16(24)11-18(13)25-19(29)12-28-10-2-3-17(22(28)30)21-26-20(27-31-21)14-5-7-15(23)8-6-14/h2-11H,12H2,1H3,(H,25,29).
What are the key properties of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide?
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 438.85 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 30849431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).