3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one

C32H36N4O8 — CID 23985734

About 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one

3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one (PubChem CID 23985734) has the molecular formula C32H36N4O8 and a molecular weight of 604.66 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one
• PubChem CID: 23985734
• Molecular Formula: C32H36N4O8
• Molecular Weight: 604.66 g/mol
• Exact Mass: 604.25
• IUPAC Name: 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one
• SMILES: C[C@@H](/C=C/CC(=O)N1CCC[C@H]1CO)[C@]1(O)C(=O)N(Cc2cccc(N3CCOC3=O)c2)c2ccc(N3CCOC3=O)cc21
• InChI: InChI=1S/C32H36N4O8/c1-21(5-2-9-28(38)33-12-4-8-25(33)20-37)32(42)26-18-24(35-14-16-44-31(35)41)10-11-27(26)36(29(32)39)19-22-6-3-7-23(17-22)34-13-15-43-30(34)40/h2-3,5-7,10-11,17-18,21,25,37,42H,4,8-9,12-16,19-20H2,1H3/b5-2+/t21-,25-,32+/m0/s1
• InChIKey: VCOYCYKMEQIFGL-JTAWOAJSSA-N
• XLogP: 2.90
• TPSA: 140.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.66
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one (CID 23985734) is 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one is C[C@@H](/C=C/CC(=O)N1CCC[C@H]1CO)[C@]1(O)C(=O)N(Cc2cccc(N3CCOC3=O)c2)c2ccc(N3CCOC3=O)cc21.

What is the InChIKey of 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one?

The InChIKey is VCOYCYKMEQIFGL-JTAWOAJSSA-N. The full InChI is InChI=1S/C32H36N4O8/c1-21(5-2-9-28(38)33-12-4-8-25(33)20-37)32(42)26-18-24(35-14-16-44-31(35)41)10-11-27(26)36(29(32)39)19-22-6-3-7-23(17-22)34-13-15-43-30(34)40/h2-3,5-7,10-11,17-18,21,25,37,42H,4,8-9,12-16,19-20H2,1H3/b5-2+/t21-,25-,32+/m0/s1.

What are the key properties of 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one?

3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 604.66 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]indol-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23985734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).