5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide

C43H43N7O12 — CID 167039772

About 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide

5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 167039772) has the molecular formula C43H43N7O12 and a molecular weight of 849.85 g/mol. Its IUPAC name is 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 167039772
• Molecular Formula: C43H43N7O12
• Molecular Weight: 849.85 g/mol
• Exact Mass: 849.30
• IUPAC Name: 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide
• SMILES: CN(C)C(=O)c1ccc(-c2cc(C(=O)NCC3CCc4ccc(OCC(=O)NCCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc43)no2)cc1O
• InChI: InChI=1S/C43H43N7O12/c1-49(2)41(57)27-12-10-24(17-32(27)51)34-19-30(48-62-34)39(55)46-20-25-8-7-23-9-11-26(18-29(23)25)60-21-36(53)44-15-4-16-45-37(54)22-61-33-6-3-5-28-38(33)43(59)50(42(28)58)31-13-14-35(52)47-40(31)56/h3,5-6,9-12,17-19,25,31,51H,4,7-8,13-16,20-22H2,1-2H3,(H,44,53)(H,45,54)(H,46,55)(H,47,52,56)
• InChIKey: WFIMTTKPOGMORY-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 255.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.85
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide (CID 167039772) is 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide is CN(C)C(=O)c1ccc(-c2cc(C(=O)NCC3CCc4ccc(OCC(=O)NCCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc43)no2)cc1O.

What is the InChIKey of 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is WFIMTTKPOGMORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N7O12/c1-49(2)41(57)27-12-10-24(17-32(27)51)34-19-30(48-62-34)39(55)46-20-25-8-7-23-9-11-26(18-29(23)25)60-21-36(53)44-15-4-16-45-37(54)22-61-33-6-3-5-28-38(33)43(59)50(42(28)58)31-13-14-35(52)47-40(31)56/h3,5-6,9-12,17-19,25,31,51H,4,7-8,13-16,20-22H2,1-2H3,(H,44,53)(H,45,54)(H,46,55)(H,47,52,56).

What are the key properties of 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide?

5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 849.85 g/mol, XLogP of 1.69, 16 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[[6-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylamino]-2-oxoethoxy]-2,3-dihydro-1H-inden-1-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167039772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).