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

C38H36N4O6 — CID 67374155

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 67374155) has the molecular formula C38H36N4O6 and a molecular weight of 644.73 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 67374155
• Molecular Formula: C38H36N4O6
• Molecular Weight: 644.73 g/mol
• Exact Mass: 644.26
• IUPAC Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
• SMILES: CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(-c2ccc(OC)cc2)n1
• InChI: InChI=1S/C38H36N4O6/c1-5-39-37(43)34-33(36-40-38(48-42-36)27-16-18-28(44-4)19-17-27)35(47-41-34)30-20-29(24(2)3)31(45-22-25-12-8-6-9-13-25)21-32(30)46-23-26-14-10-7-11-15-26/h6-21,24H,5,22-23H2,1-4H3,(H,39,43)
• InChIKey: BWEQXDSHVTUOKF-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 121.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.73
LogP ≤ 5	8.10
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]-N-ethyl-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide (CID 67374155) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide.

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

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

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

The InChIKey is BWEQXDSHVTUOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N4O6/c1-5-39-37(43)34-33(36-40-38(48-42-36)27-16-18-28(44-4)19-17-27)35(47-41-34)30-20-29(24(2)3)31(45-22-25-12-8-6-9-13-25)21-32(30)46-23-26-14-10-7-11-15-26/h6-21,24H,5,22-23H2,1-4H3,(H,39,43).

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 644.73 g/mol, XLogP of 8.10, 13 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]-N-ethyl-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67374155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).