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

C23H18ClFN4O3 — CID 42585957

IUPAC2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H18ClFN4O3/c1-13-11-14(2)29(12-19(30)26-18-6-4-3-5-17(18)25)23(31)20(13)22-27-21(28-32-22)15-7-9-16(24)10-8-15/h3-11H,12H2,1-2H3,(H,26,30)
InChIKeyFJBMSHQQSYWOFV-UHFFFAOYSA-N
MW452.87 g/mol
LogP4.61
Rot. Bonds5

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

2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide (PubChem CID 42585957) has the molecular formula C23H18ClFN4O3 and a molecular weight of 452.87 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-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide
PubChem CID42585957
Molecular FormulaC23H18ClFN4O3
Molecular Weight452.87 g/mol
Exact Mass452.11
IUPAC Name2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H18ClFN4O3/c1-13-11-14(2)29(12-19(30)26-18-6-4-3-5-17(18)25)23(31)20(13)22-27-21(28-32-22)15-7-9-16(24)10-8-15/h3-11H,12H2,1-2H3,(H,26,30)
InChIKeyFJBMSHQQSYWOFV-UHFFFAOYSA-N
XLogP4.61
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.87
LogP ≤ 54.61
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-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide (CID 42585957) is 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)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-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccccc2F)c(=O)c1-c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is FJBMSHQQSYWOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O3/c1-13-11-14(2)29(12-19(30)26-18-6-4-3-5-17(18)25)23(31)20(13)22-27-21(28-32-22)15-7-9-16(24)10-8-15/h3-11H,12H2,1-2H3,(H,26,30).
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-(2-fluorophenyl)acetamide?
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 452.87 g/mol, XLogP of 4.61, 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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 42585957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).