3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide

C25H22N4O4 — CID 50844299

IUPAC3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4C)o3)cc2)c1
InChIInChI=1S/C25H22N4O4/c1-16-6-3-4-9-22(16)25-29-28-23(33-25)15-32-21-12-10-19(11-13-21)27-24(31)18-7-5-8-20(14-18)26-17(2)30/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyDBYNIGJCLRRKKO-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.83
Rot. Bonds7

About 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide

3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide (PubChem CID 50844299) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
PubChem CID50844299
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4C)o3)cc2)c1
InChIInChI=1S/C25H22N4O4/c1-16-6-3-4-9-22(16)25-29-28-23(33-25)15-32-21-12-10-19(11-13-21)27-24(31)18-7-5-8-20(14-18)26-17(2)30/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyDBYNIGJCLRRKKO-UHFFFAOYSA-N
XLogP4.83
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]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

Related Compounds

4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843884
3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 50844070
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671
3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319255
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 50844264
1-(3,4-dimethylphenyl)-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50844038
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide (CID 50844299) is 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4C)o3)cc2)c1.
What is the InChIKey of 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
The InChIKey is DBYNIGJCLRRKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-16-6-3-4-9-22(16)25-29-28-23(33-25)15-32-21-12-10-19(11-13-21)27-24(31)18-7-5-8-20(14-18)26-17(2)30/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide has a molecular weight of 442.48 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 50844299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).