N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide

C17H15N3O3 — CID 647045

IUPACN-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)noc1=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O3/c21-15(18-11-13-7-3-1-4-8-13)12-20-16(19-23-17(20)22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,21)
InChIKeyPYSBRALIFQODNI-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.82
Rot. Bonds5

About N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide

N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 647045) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID647045
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)noc1=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O3/c21-15(18-11-13-7-3-1-4-8-13)12-20-16(19-23-17(20)22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,21)
InChIKeyPYSBRALIFQODNI-UHFFFAOYSA-N
XLogP1.82
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (CID 647045) is N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is O=C(Cn1c(-c2ccccc2)noc1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is PYSBRALIFQODNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-15(18-11-13-7-3-1-4-8-13)12-20-16(19-23-17(20)22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,21).
What are the key properties of N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 309.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 647045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).