2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C25H23N3O4 — CID 3241412

IUPAC2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3noc(COc4ccccc4C)n3)cc2)cc1
InChIInChI=1S/C25H23N3O4/c1-17-5-3-4-6-22(17)31-16-24-27-25(28-32-24)19-9-11-20(12-10-19)26-23(29)15-18-7-13-21(30-2)14-8-18/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyJSUKAXUWJFQUJN-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.81
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 3241412) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID3241412
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3noc(COc4ccccc4C)n3)cc2)cc1
InChIInChI=1S/C25H23N3O4/c1-17-5-3-4-6-22(17)31-16-24-27-25(28-32-24)19-9-11-20(12-10-19)26-23(29)15-18-7-13-21(30-2)14-8-18/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyJSUKAXUWJFQUJN-UHFFFAOYSA-N
XLogP4.81
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]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 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 3241412) is 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(-c3noc(COc4ccccc4C)n3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is JSUKAXUWJFQUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-5-3-4-6-22(17)31-16-24-27-25(28-32-24)19-9-11-20(12-10-19)26-23(29)15-18-7-13-21(30-2)14-8-18/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 3241412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).