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

C21H22N4O3 — CID 25269285

IUPAC3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide
SMILESCC(=O)Nc1ccc(Cc2noc(CCC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-15(26)23-18-9-7-16(8-10-18)13-19-24-21(28-25-19)12-11-20(27)22-14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,22,27)(H,23,26)
InChIKeyRNUGEFXZUVMBGH-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.87
Rot. Bonds8

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

3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide (PubChem CID 25269285) 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-benzylpropanamide.

Molecular Properties

Compound Name3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide
PubChem CID25269285
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide
SMILESCC(=O)Nc1ccc(Cc2noc(CCC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O3/c1-15(26)23-18-9-7-16(8-10-18)13-19-24-21(28-25-19)12-11-20(27)22-14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,22,27)(H,23,26)
InChIKeyRNUGEFXZUVMBGH-UHFFFAOYSA-N
XLogP2.87
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.87
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-benzylpropanamide?
The IUPAC name of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide (CID 25269285) is 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide.
What is the SMILES notation for 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide?
The canonical SMILES for 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide is CC(=O)Nc1ccc(Cc2noc(CCC(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide?
The InChIKey is RNUGEFXZUVMBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15(26)23-18-9-7-16(8-10-18)13-19-24-21(28-25-19)12-11-20(27)22-14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide?
3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide has a molecular weight of 378.43 g/mol, XLogP of 2.87, 8 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-benzylpropanamide is sourced from PubChem (CID 25269285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).