(4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one

C27H37NO4Si — CID 131746615

IUPAC(4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@](C)(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C27H37NO4Si/c1-20(24(29)28-23(19-31-25(28)30)18-21-14-10-8-11-15-21)27(5,22-16-12-9-13-17-22)32-33(6,7)26(2,3)4/h8-17,20,23H,18-19H2,1-7H3/t20-,23-,27-/m1/s1
InChIKeyBPTRUGLBACUNPL-SZEHJLNQSA-N
MW467.68 g/mol
LogP6.15
Rot. Bonds7

About (4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 131746615) has the molecular formula C27H37NO4Si and a molecular weight of 467.68 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID131746615
Molecular FormulaC27H37NO4Si
Molecular Weight467.68 g/mol
Exact Mass467.25
IUPAC Name(4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@](C)(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C27H37NO4Si/c1-20(24(29)28-23(19-31-25(28)30)18-21-14-10-8-11-15-21)27(5,22-16-12-9-13-17-22)32-33(6,7)26(2,3)4/h8-17,20,23H,18-19H2,1-7H3/t20-,23-,27-/m1/s1
InChIKeyBPTRUGLBACUNPL-SZEHJLNQSA-N
XLogP6.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.68
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one (CID 131746615) is (4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one is C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@](C)(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is BPTRUGLBACUNPL-SZEHJLNQSA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-20(24(29)28-23(19-31-25(28)30)18-21-14-10-8-11-15-21)27(5,22-16-12-9-13-17-22)32-33(6,7)26(2,3)4/h8-17,20,23H,18-19H2,1-7H3/t20-,23-,27-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 467.68 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 131746615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).