2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide

C24H20ClFN4O3 — CID 42585131

IUPAC2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C24H20ClFN4O3/c1-13-4-9-18(26)11-19(13)27-20(31)12-30-15(3)10-14(2)21(24(30)32)23-28-22(29-33-23)16-5-7-17(25)8-6-16/h4-11H,12H2,1-3H3,(H,27,31)
InChIKeyYBXIENBMDUVQTH-UHFFFAOYSA-N
MW466.90 g/mol
LogP4.92
Rot. Bonds5

About 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide

2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 42585131) has the molecular formula C24H20ClFN4O3 and a molecular weight of 466.90 g/mol. Its IUPAC name is 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID42585131
Molecular FormulaC24H20ClFN4O3
Molecular Weight466.90 g/mol
Exact Mass466.12
IUPAC Name2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C24H20ClFN4O3/c1-13-4-9-18(26)11-19(13)27-20(31)12-30-15(3)10-14(2)21(24(30)32)23-28-22(29-33-23)16-5-7-17(25)8-6-16/h4-11H,12H2,1-3H3,(H,27,31)
InChIKeyYBXIENBMDUVQTH-UHFFFAOYSA-N
XLogP4.92
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 54.92
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]-4,6-dimethyl-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]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide (CID 42585131) is 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-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]-4,6-dimethyl-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]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(Cl)cc3)no2)c1=O.
What is the InChIKey of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is YBXIENBMDUVQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3/c1-13-4-9-18(26)11-19(13)27-20(31)12-30-15(3)10-14(2)21(24(30)32)23-28-22(29-33-23)16-5-7-17(25)8-6-16/h4-11H,12H2,1-3H3,(H,27,31).
What are the key properties of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide?
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 466.90 g/mol, XLogP of 4.92, 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]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 42585131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).