2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide

C24H28N4O4 — CID 98065252

About 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide

2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide (PubChem CID 98065252) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
• PubChem CID: 98065252
• Molecular Formula: C24H28N4O4
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
• SMILES: COc1ccc(OCC(=O)NCC2CCC(c3nnc(-c4ccc(C)nc4)o3)CC2)cc1
• InChI: InChI=1S/C24H28N4O4/c1-16-3-6-19(14-25-16)24-28-27-23(32-24)18-7-4-17(5-8-18)13-26-22(29)15-31-21-11-9-20(30-2)10-12-21/h3,6,9-12,14,17-18H,4-5,7-8,13,15H2,1-2H3,(H,26,29)
• InChIKey: VJUGNFRYOMQCOH-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?

The IUPAC name of 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide (CID 98065252) is 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide.

What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?

The canonical SMILES for 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide is COc1ccc(OCC(=O)NCC2CCC(c3nnc(-c4ccc(C)nc4)o3)CC2)cc1.

What is the InChIKey of 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?

The InChIKey is VJUGNFRYOMQCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16-3-6-19(14-25-16)24-28-27-23(32-24)18-7-4-17(5-8-18)13-26-22(29)15-31-21-11-9-20(30-2)10-12-21/h3,6,9-12,14,17-18H,4-5,7-8,13,15H2,1-2H3,(H,26,29).

What are the key properties of 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?

2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).