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

C20H20N4O3 — CID 25269639

IUPAC3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-14(25)21-17-9-7-15(8-10-17)13-18-23-20(27-24-18)12-11-19(26)22-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyZEENVKLFUBYYFB-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.19
Rot. Bonds7

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

3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (PubChem CID 25269639) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
PubChem CID25269639
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-14(25)21-17-9-7-15(8-10-17)13-18-23-20(27-24-18)12-11-19(26)22-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyZEENVKLFUBYYFB-UHFFFAOYSA-N
XLogP3.19
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.19
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-phenylpropanamide?
The IUPAC name of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (CID 25269639) is 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is CC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The InChIKey is ZEENVKLFUBYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14(25)21-17-9-7-15(8-10-17)13-18-23-20(27-24-18)12-11-19(26)22-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide has a molecular weight of 364.41 g/mol, XLogP of 3.19, 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-phenylpropanamide is sourced from PubChem (CID 25269639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).