3-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxyethyl)triazol-1-yl]hex-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

C31H34N6O7 — CID 23874207

About 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxyethyl)triazol-1-yl]hex-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-[4-(2-hydroxyethyl)triazol-1-yl]hex-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 23874207) has the molecular formula C31H34N6O7 and a molecular weight of 602.65 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxyethyl)triazol-1-yl]hex-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-[4-(2-hydroxyethyl)triazol-1-yl]hex-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: 23874207
• Molecular Formula: C31H34N6O7
• Molecular Weight: 602.65 g/mol
• Exact Mass: 602.25
• IUPAC Name: 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxyethyl)triazol-1-yl]hex-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/CCn1cc(CCO)nn1)[C@]1(O)C(=O)N(Cc2cccc(N3CCOC3=O)c2)c2ccc(N3CCOC3=O)cc21
• InChI: InChI=1S/C31H34N6O7/c1-21(5-2-3-11-34-20-23(10-14-38)32-33-34)31(42)26-18-25(36-13-16-44-30(36)41)8-9-27(26)37(28(31)39)19-22-6-4-7-24(17-22)35-12-15-43-29(35)40/h2,4-9,17-18,20-21,38,42H,3,10-16,19H2,1H3/b5-2+/t21-,31+/m0/s1
• InChIKey: FXISDVITFAWQLM-GPIIJLFZSA-N
• XLogP: 2.74
• TPSA: 150.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.65
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[4-(2-hydroxyethyl)triazol-1-yl]hex-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-[4-(2-hydroxyethyl)triazol-1-yl]hex-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 23874207) is 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxyethyl)triazol-1-yl]hex-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-[4-(2-hydroxyethyl)triazol-1-yl]hex-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-[4-(2-hydroxyethyl)triazol-1-yl]hex-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/CCn1cc(CCO)nn1)[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-[4-(2-hydroxyethyl)triazol-1-yl]hex-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 FXISDVITFAWQLM-GPIIJLFZSA-N. The full InChI is InChI=1S/C31H34N6O7/c1-21(5-2-3-11-34-20-23(10-14-38)32-33-34)31(42)26-18-25(36-13-16-44-30(36)41)8-9-27(26)37(28(31)39)19-22-6-4-7-24(17-22)35-12-15-43-29(35)40/h2,4-9,17-18,20-21,38,42H,3,10-16,19H2,1H3/b5-2+/t21-,31+/m0/s1.

What are the key properties of 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxyethyl)triazol-1-yl]hex-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-[4-(2-hydroxyethyl)triazol-1-yl]hex-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 602.65 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxyethyl)triazol-1-yl]hex-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 23874207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).