5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide

C35H37ClN8O9 — CID 166635228

About 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide

5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide (PubChem CID 166635228) has the molecular formula C35H37ClN8O9 and a molecular weight of 749.18 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 166635228
• Molecular Formula: C35H37ClN8O9
• Molecular Weight: 749.18 g/mol
• Exact Mass: 748.24
• IUPAC Name: 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide
• SMILES: COc1ccc(-c2ocnc2C(=O)NCCCc2cn(CCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)cc1Cl
• InChI: InChI=1S/C35H37ClN8O9/c1-50-27-9-7-21(18-24(27)36)31-30(39-20-53-31)33(47)38-11-3-4-22-19-43(42-41-22)13-15-52-17-16-51-14-12-37-25-6-2-5-23-29(25)35(49)44(34(23)48)26-8-10-28(45)40-32(26)46/h2,5-7,9,18-20,26,37H,3-4,8,10-17H2,1H3,(H,38,47)(H,40,45,46)
• InChIKey: ZZHIDWLVNKFOTN-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 209.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.18
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide (CID 166635228) is 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)NCCCc2cn(CCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)cc1Cl.

What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide?

The InChIKey is ZZHIDWLVNKFOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37ClN8O9/c1-50-27-9-7-21(18-24(27)36)31-30(39-20-53-31)33(47)38-11-3-4-22-19-43(42-41-22)13-15-52-17-16-51-14-12-37-25-6-2-5-23-29(25)35(49)44(34(23)48)26-8-10-28(45)40-32(26)46/h2,5-7,9,18-20,26,37H,3-4,8,10-17H2,1H3,(H,38,47)(H,40,45,46).

What are the key properties of 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide?

5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide has a molecular weight of 749.18 g/mol, XLogP of 2.50, 18 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166635228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).