ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

C33H33N7O11 — CID 101398095

About ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 101398095) has the molecular formula C33H33N7O11 and a molecular weight of 703.67 g/mol. Its IUPAC name is ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
• PubChem CID: 101398095
• Molecular Formula: C33H33N7O11
• Molecular Weight: 703.67 g/mol
• Exact Mass: 703.22
• IUPAC Name: ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
• SMILES: CCOC(=O)c1coc(-c2coc(-c3coc(-c4coc(-c5coc(-c6nc([C@@H]7[C@@H](C)OC(C)(C)N7C(=O)OC(C)(C)C)oc6C)n5)n4)n3)n2)n1
• InChI: InChI=1S/C33H33N7O11/c1-9-43-30(41)21-14-47-27(38-21)19-12-45-25(36-19)17-10-44-24(34-17)18-11-46-26(35-18)20-13-48-28(37-20)22-15(2)49-29(39-22)23-16(3)50-33(7,8)40(23)31(42)51-32(4,5)6/h10-14,16,23H,9H2,1-8H3/t16-,23+/m1/s1
• InChIKey: XKNDJXQPGWBYLR-MWTRTKDXSA-N
• XLogP: 6.87
• TPSA: 221.25 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	703.67
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?

The IUPAC name of ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate (CID 101398095) is ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate.

What is the SMILES notation for ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?

The canonical SMILES for ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2coc(-c3coc(-c4coc(-c5coc(-c6nc([C@@H]7[C@@H](C)OC(C)(C)N7C(=O)OC(C)(C)C)oc6C)n5)n4)n3)n2)n1.

What is the InChIKey of ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?

The InChIKey is XKNDJXQPGWBYLR-MWTRTKDXSA-N. The full InChI is InChI=1S/C33H33N7O11/c1-9-43-30(41)21-14-47-27(38-21)19-12-45-25(36-19)17-10-44-24(34-17)18-11-46-26(35-18)20-13-48-28(37-20)22-15(2)49-29(39-22)23-16(3)50-33(7,8)40(23)31(42)51-32(4,5)6/h10-14,16,23H,9H2,1-8H3/t16-,23+/m1/s1.

What are the key properties of ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate?

ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 703.67 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[2-[2-[2-[5-methyl-2-[(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 101398095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).