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

C25H24N4O5 — CID 30849619

IUPAC2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn(CC(=O)Nc4cc(C)ccc4C)c3=O)n2)cc1OC
InChIInChI=1S/C25H24N4O5/c1-15-7-8-16(2)19(12-15)26-22(30)14-29-11-5-6-18(25(29)31)24-27-23(28-34-24)17-9-10-20(32-3)21(13-17)33-4/h5-13H,14H2,1-4H3,(H,26,30)
InChIKeyVRVWMYTZCHDCLA-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.84
Rot. Bonds7

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

2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 30849619) 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-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID30849619
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-(2,5-dimethylphenyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn(CC(=O)Nc4cc(C)ccc4C)c3=O)n2)cc1OC
InChIInChI=1S/C25H24N4O5/c1-15-7-8-16(2)19(12-15)26-22(30)14-29-11-5-6-18(25(29)31)24-27-23(28-34-24)17-9-10-20(32-3)21(13-17)33-4/h5-13H,14H2,1-4H3,(H,26,30)
InChIKeyVRVWMYTZCHDCLA-UHFFFAOYSA-N
XLogP3.84
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.84
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-[(4-methylphenyl)methyl]acetamide
CID 53100904
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53100893
N-(2,6-dimethylphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373562
N-(2-chloro-4-methylphenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 30849110
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-bromo-2-fluorophenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373566
N-(2-bromo-4-methylphenyl)-2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53100921
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-ethoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373583
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 30849405
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-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide (CID 30849619) is 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide is COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4cc(C)ccc4C)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-(2,5-dimethylphenyl)acetamide?
The InChIKey is VRVWMYTZCHDCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-15-7-8-16(2)19(12-15)26-22(30)14-29-11-5-6-18(25(29)31)24-27-23(28-34-24)17-9-10-20(32-3)21(13-17)33-4/h5-13H,14H2,1-4H3,(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-(2,5-dimethylphenyl)acetamide?
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 460.49 g/mol, XLogP of 3.84, 7 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-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 30849619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).