3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide

C21H22N4O3 — CID 25269644

IUPAC3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-14-4-3-5-18(12-14)23-20(27)10-11-21-24-19(25-28-21)13-16-6-8-17(9-7-16)22-15(2)26/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyZJQPRKPHIFFTBH-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.50
Rot. Bonds7

About 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide

3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide (PubChem CID 25269644) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
PubChem CID25269644
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-14-4-3-5-18(12-14)23-20(27)10-11-21-24-19(25-28-21)13-16-6-8-17(9-7-16)22-15(2)26/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyZJQPRKPHIFFTBH-UHFFFAOYSA-N
XLogP3.50
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide (CID 25269644) is 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide is CC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3cccc(C)c3)n2)cc1.
What is the InChIKey of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is ZJQPRKPHIFFTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-4-3-5-18(12-14)23-20(27)10-11-21-24-19(25-28-21)13-16-6-8-17(9-7-16)22-15(2)26/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide?
3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 378.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 25269644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).