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

C23H19FN4O3 — CID 46393952

IUPACN-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C)c(F)c4)c3)n2)cc1
InChIInChI=1S/C23H19FN4O3/c1-14-3-6-16(7-4-14)22-26-23(31-27-22)17-8-10-21(30)28(12-17)13-20(29)25-18-9-5-15(2)19(24)11-18/h3-12H,13H2,1-2H3,(H,25,29)
InChIKeyVYBUNRMDRJCIRI-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.96
Rot. Bonds5

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

N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 46393952) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
PubChem CID46393952
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C)c(F)c4)c3)n2)cc1
InChIInChI=1S/C23H19FN4O3/c1-14-3-6-16(7-4-14)22-26-23(31-27-22)17-8-10-21(30)28(12-17)13-20(29)25-18-9-5-15(2)19(24)11-18/h3-12H,13H2,1-2H3,(H,25,29)
InChIKeyVYBUNRMDRJCIRI-UHFFFAOYSA-N
XLogP3.96
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 51366710
2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46393947
2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 51366791
N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53091170
ethyl 4-[[2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 50837998
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
N-(2-methoxyphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393943
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53137174
N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366790
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51366743
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 51366676
N-(4-fluoro-3-methylphenyl)-2-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]acetamide
CID 53173921

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide (CID 46393952) is N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C)c(F)c4)c3)n2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is VYBUNRMDRJCIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-14-3-6-16(7-4-14)22-26-23(31-27-22)17-8-10-21(30)28(12-17)13-20(29)25-18-9-5-15(2)19(24)11-18/h3-12H,13H2,1-2H3,(H,25,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 418.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 46393952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).