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

C34H37N5O5 — CID 67375098

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 67375098) has the molecular formula C34H37N5O5 and a molecular weight of 595.70 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide
• PubChem CID: 67375098
• Molecular Formula: C34H37N5O5
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.28
• IUPAC Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-[(dimethylamino)methyl]-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(CN(C)C)n1
• InChI: InChI=1S/C34H37N5O5/c1-6-35-34(40)31-30(33-36-29(43-38-33)19-39(4)5)32(44-37-31)26-17-25(22(2)3)27(41-20-23-13-9-7-10-14-23)18-28(26)42-21-24-15-11-8-12-16-24/h7-18,22H,6,19-21H2,1-5H3,(H,35,40)
• InChIKey: UUUGKRKBNCRIJN-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 115.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	6.48
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-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide (CID 67375098) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-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(CN(C)C)n1.

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

The InChIKey is UUUGKRKBNCRIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O5/c1-6-35-34(40)31-30(33-36-29(43-38-33)19-39(4)5)32(44-37-31)26-17-25(22(2)3)27(41-20-23-13-9-7-10-14-23)18-28(26)42-21-24-15-11-8-12-16-24/h7-18,22H,6,19-21H2,1-5H3,(H,35,40).

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

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 595.70 g/mol, XLogP of 6.48, 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]-4-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67375098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).