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

C36H39N5O5 — CID 67374233

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-piperidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 67374233) has the molecular formula C36H39N5O5 and a molecular weight of 621.74 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-piperidin-1-yl-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-piperidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 67374233
• Molecular Formula: C36H39N5O5
• Molecular Weight: 621.74 g/mol
• Exact Mass: 621.30
• IUPAC Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-piperidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide
• SMILES: CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(N2CCCCC2)n1
• InChI: InChI=1S/C36H39N5O5/c1-4-37-35(42)32-31(34-38-36(46-40-34)41-18-12-7-13-19-41)33(45-39-32)28-20-27(24(2)3)29(43-22-25-14-8-5-9-15-25)21-30(28)44-23-26-16-10-6-11-17-26/h5-6,8-11,14-17,20-21,24H,4,7,12-13,18-19,22-23H2,1-3H3,(H,37,42)
• InChIKey: JHNPJYXKWZPFQZ-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 115.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.74
LogP ≤ 5	7.41
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-piperidin-1-yl-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-piperidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide (CID 67374233) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-piperidin-1-yl-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-piperidin-1-yl-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-piperidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1noc(N2CCCCC2)n1.

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

The InChIKey is JHNPJYXKWZPFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N5O5/c1-4-37-35(42)32-31(34-38-36(46-40-34)41-18-12-7-13-19-41)33(45-39-32)28-20-27(24(2)3)29(43-22-25-14-8-5-9-15-25)21-30(28)44-23-26-16-10-6-11-17-26/h5-6,8-11,14-17,20-21,24H,4,7,12-13,18-19,22-23H2,1-3H3,(H,37,42).

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(5-piperidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 621.74 g/mol, XLogP of 7.41, 12 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-piperidin-1-yl-1,2,4-oxadiazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67374233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).