5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide

C39H38N4O6 — CID 67374360

About 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 67374360) has the molecular formula C39H38N4O6 and a molecular weight of 658.76 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide
• PubChem CID: 67374360
• Molecular Formula: C39H38N4O6
• Molecular Weight: 658.76 g/mol
• Exact Mass: 658.28
• IUPAC Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide
• SMILES: CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(-c2ccc(OCC)cc2)n1
• InChI: InChI=1S/C39H38N4O6/c1-5-40-38(44)35-34(37-41-39(49-43-37)28-17-19-29(20-18-28)45-6-2)36(48-42-35)31-21-30(25(3)4)32(46-23-26-13-9-7-10-14-26)22-33(31)47-24-27-15-11-8-12-16-27/h7-22,25H,5-6,23-24H2,1-4H3,(H,40,44)
• InChIKey: KVEMOBWNLQGWDU-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 121.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.76
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide (CID 67374360) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(-c2ccc(OCC)cc2)n1.

What is the InChIKey of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide?

The InChIKey is KVEMOBWNLQGWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38N4O6/c1-5-40-38(44)35-34(37-41-39(49-43-37)28-17-19-29(20-18-28)45-6-2)36(48-42-35)31-21-30(25(3)4)32(46-23-26-13-9-7-10-14-26)22-33(31)47-24-27-15-11-8-12-16-27/h7-22,25H,5-6,23-24H2,1-4H3,(H,40,44).

What are the key properties of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide?

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 658.76 g/mol, XLogP of 8.49, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67374360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).