N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

C24H21N3O2 — CID 25093465

IUPACN-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccccc4)cc3)c2)o1
InChIInChI=1S/C24H21N3O2/c1-16-8-9-21(24-27-26-17(2)29-24)14-22(16)19-10-12-20(13-11-19)23(28)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyQPHJAKYGFBAGRJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.95
Rot. Bonds5

About N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 25093465) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID25093465
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccccc4)cc3)c2)o1
InChIInChI=1S/C24H21N3O2/c1-16-8-9-21(24-27-26-17(2)29-24)14-22(16)19-10-12-20(13-11-19)23(28)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyQPHJAKYGFBAGRJ-UHFFFAOYSA-N
XLogP4.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide 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-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 25093465) is N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccccc4)cc3)c2)o1.
What is the InChIKey of N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is QPHJAKYGFBAGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-8-9-21(24-27-26-17(2)29-24)14-22(16)19-10-12-20(13-11-19)23(28)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 25093465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).