(4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C₁₉H₂₇NO₃Si — CID 101386968

About (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101386968) has the molecular formula C₁₉H₂₇NO₃Si and a molecular weight of 345.52 g/mol. Its IUPAC name is (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 101386968
• Molecular Formula: C₁₉H₂₇NO₃Si
• Molecular Weight: 345.52 g/mol
• Exact Mass: 345.18
• IUPAC Name: (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: CC(C)[C@H](O)[C@@H](C#C[Si](C)(C)C)N1C(=O)OC[C@H]1c1ccccc1
• InChI: InChI=1S/C19H27NO3Si/c1-14(2)18(21)16(11-12-24(3,4)5)20-17(13-23-19(20)22)15-9-7-6-8-10-15/h6-10,14,16-18,21H,13H2,1-5H3/t16-,17+,18+/m1/s1
• InChIKey: FNBIBHBMISNRMG-SQNIBIBYSA-N
• XLogP: 3.45
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.52
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 101386968) is (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)[C@H](O)[C@@H](C#C[Si](C)(C)C)N1C(=O)OC[C@H]1c1ccccc1.

What is the InChIKey of (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is FNBIBHBMISNRMG-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H27NO3Si/c1-14(2)18(21)16(11-12-24(3,4)5)20-17(13-23-19(20)22)15-9-7-6-8-10-15/h6-10,14,16-18,21H,13H2,1-5H3/t16-,17+,18+/m1/s1.

What are the key properties of (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

(4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 345.52 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101386968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 101386968 — identifiers, structure, computed properties (public domain)

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