N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide

C45H47N7O13 — CID 170426159

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide (PubChem CID 170426159) has the molecular formula C45H47N7O13 and a molecular weight of 893.91 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 170426159
• Molecular Formula: C45H47N7O13
• Molecular Weight: 893.91 g/mol
• Exact Mass: 893.32
• IUPAC Name: N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide
• SMILES: CN(CCNC(=O)CCOCCOCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)no2)cc1O
• InChI: InChI=1S/C45H47N7O13/c1-51(43(59)29-11-9-27(23-34(29)53)36-24-32(50-65-36)41(57)48-31-12-10-26-5-2-3-6-28(26)31)18-16-46-37(54)15-19-62-21-22-63-20-17-47-39(56)25-64-35-8-4-7-30-40(35)45(61)52(44(30)60)33-13-14-38(55)49-42(33)58/h2-9,11,23-24,31,33,53H,10,12-22,25H2,1H3,(H,46,54)(H,47,56)(H,48,57)(H,49,55,58)/t31-,33?/m1/s1
• InChIKey: DDJUZTSTRPRVAB-GWLFDFPQSA-N
• XLogP: 1.67
• TPSA: 265.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.91
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	5
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 N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide (CID 170426159) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide is CN(CCNC(=O)CCOCCOCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)no2)cc1O.

What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is DDJUZTSTRPRVAB-GWLFDFPQSA-N. The full InChI is InChI=1S/C45H47N7O13/c1-51(43(59)29-11-9-27(23-34(29)53)36-24-32(50-65-36)41(57)48-31-12-10-26-5-2-3-6-28(26)31)18-16-46-37(54)15-19-62-21-22-63-20-17-47-39(56)25-64-35-8-4-7-30-40(35)45(61)52(44(30)60)33-13-14-38(55)49-42(33)58/h2-9,11,23-24,31,33,53H,10,12-22,25H2,1H3,(H,46,54)(H,47,56)(H,48,57)(H,49,55,58)/t31-,33?/m1/s1.

What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide?

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 893.91 g/mol, XLogP of 1.67, 20 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-[4-[2-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoylamino]ethyl-methylcarbamoyl]-3-hydroxyphenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 170426159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).