(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione

C28H30FNO4Si — CID 102046801

About (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione

(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione (PubChem CID 102046801) has the molecular formula C28H30FNO4Si and a molecular weight of 491.64 g/mol. Its IUPAC name is (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione.

Molecular Properties

• Compound Name: (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione
• PubChem CID: 102046801
• Molecular Formula: C28H30FNO4Si
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.19
• IUPAC Name: (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione
• SMILES: C[C@]1(C[Si](C)(C)c2ccccc2)C(=O)N([C@H](CO)c2ccccc2)C(=O)O[C@@H]1c1ccc(F)cc1
• InChI: InChI=1S/C28H30FNO4Si/c1-28(19-35(2,3)23-12-8-5-9-13-23)25(21-14-16-22(29)17-15-21)34-27(33)30(26(28)32)24(18-31)20-10-6-4-7-11-20/h4-17,24-25,31H,18-19H2,1-3H3/t24-,25-,28-/m1/s1
• InChIKey: NDYFVOXNIRTIDE-INNMJMHTSA-N
• XLogP: 5.20
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione?

The IUPAC name of (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione (CID 102046801) is (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione.

What is the SMILES notation for (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione?

The canonical SMILES for (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione is C[C@]1(C[Si](C)(C)c2ccccc2)C(=O)N([C@H](CO)c2ccccc2)C(=O)O[C@@H]1c1ccc(F)cc1.

What is the InChIKey of (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione?

The InChIKey is NDYFVOXNIRTIDE-INNMJMHTSA-N. The full InChI is InChI=1S/C28H30FNO4Si/c1-28(19-35(2,3)23-12-8-5-9-13-23)25(21-14-16-22(29)17-15-21)34-27(33)30(26(28)32)24(18-31)20-10-6-4-7-11-20/h4-17,24-25,31H,18-19H2,1-3H3/t24-,25-,28-/m1/s1.

What are the key properties of (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione?

(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione has a molecular weight of 491.64 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 102046801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).