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

C23H20N4O3S — CID 46393947

IUPAC2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)c1
InChIInChI=1S/C23H20N4O3S/c1-15-6-8-16(9-7-15)22-25-23(30-26-22)17-10-11-21(29)27(13-17)14-20(28)24-18-4-3-5-19(12-18)31-2/h3-13H,14H2,1-2H3,(H,24,28)
InChIKeyDKYRHWAQENSWQY-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.23
Rot. Bonds6

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

2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 46393947) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID46393947
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)c1
InChIInChI=1S/C23H20N4O3S/c1-15-6-8-16(9-7-15)22-25-23(30-26-22)17-10-11-21(29)27(13-17)14-20(28)24-18-4-3-5-19(12-18)31-2/h3-13H,14H2,1-2H3,(H,24,28)
InChIKeyDKYRHWAQENSWQY-UHFFFAOYSA-N
XLogP4.23
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 51366791
2-[5-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 51366676
N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393952
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
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 53091216
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-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chlorophenyl)acetamide
CID 51366667
N-(2-methoxyphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393943
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51366743

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide (CID 46393947) is 2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)c1.
What is the InChIKey of 2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is DKYRHWAQENSWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-15-6-8-16(9-7-15)22-25-23(30-26-22)17-10-11-21(29)27(13-17)14-20(28)24-18-4-3-5-19(12-18)31-2/h3-13H,14H2,1-2H3,(H,24,28).
What are the key properties of 2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide?
2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 432.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 46393947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).