N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C22H25N3O4 — CID 17014045

About N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 17014045) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
• PubChem CID: 17014045
• Molecular Formula: C22H25N3O4
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.18
• IUPAC Name: N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
• SMILES: COc1ccc(-c2nonc2NC(=O)COc2cc(C)ccc2C(C)C)cc1C
• InChI: InChI=1S/C22H25N3O4/c1-13(2)17-8-6-14(3)10-19(17)28-12-20(26)23-22-21(24-29-25-22)16-7-9-18(27-5)15(4)11-16/h6-11,13H,12H2,1-5H3,(H,23,25,26)
• InChIKey: CLINDFHYKKDDIU-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 17014045) is N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is COc1ccc(-c2nonc2NC(=O)COc2cc(C)ccc2C(C)C)cc1C.

What is the InChIKey of N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

The InChIKey is CLINDFHYKKDDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-13(2)17-8-6-14(3)10-19(17)28-12-20(26)23-22-21(24-29-25-22)16-7-9-18(27-5)15(4)11-16/h6-11,13H,12H2,1-5H3,(H,23,25,26).

What are the key properties of N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?

N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17014045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).