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

C25H24N4O5 — CID 53100904

IUPAC2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccc(C)cc4)c3=O)n2)cc1OC
InChIInChI=1S/C25H24N4O5/c1-16-6-8-17(9-7-16)14-26-22(30)15-29-12-4-5-19(25(29)31)24-27-23(28-34-24)18-10-11-20(32-2)21(13-18)33-3/h4-13H,14-15H2,1-3H3,(H,26,30)
InChIKeyWYSXLMSORYOGJG-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.21
Rot. Bonds8

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

2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 53100904) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID53100904
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccc(C)cc4)c3=O)n2)cc1OC
InChIInChI=1S/C25H24N4O5/c1-16-6-8-17(9-7-16)14-26-22(30)15-29-12-4-5-19(25(29)31)24-27-23(28-34-24)18-10-11-20(32-2)21(13-18)33-3/h4-13H,14-15H2,1-3H3,(H,26,30)
InChIKeyWYSXLMSORYOGJG-UHFFFAOYSA-N
XLogP3.21
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 30849619
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53100893
N-benzyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527035
N-(2,6-dimethylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373562
N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267215
N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373576
N-(4-ethoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373583
N-[(4-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527010
2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849101
2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849607
N-(4-bromo-2-fluorophenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373566
N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 30849110

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide (CID 53100904) is 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccc(C)cc4)c3=O)n2)cc1OC.
What is the InChIKey of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is WYSXLMSORYOGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-16-6-8-17(9-7-16)14-26-22(30)15-29-12-4-5-19(25(29)31)24-27-23(28-34-24)18-10-11-20(32-2)21(13-18)33-3/h4-13H,14-15H2,1-3H3,(H,26,30).
What are the key properties of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 460.49 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53100904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).