(4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one

C19H27NO3Si — CID 154709765

IUPAC(4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one
SMILESCC(/C=C/C[Si](C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H27NO3Si/c1-15(9-8-12-24(2,3)4)18(21)20-17(14-23-19(20)22)13-16-10-6-5-7-11-16/h5-11,15,17H,12-14H2,1-4H3/b9-8+/t15?,17-/m1/s1
InChIKeyHVLCWAZIBMHRDM-CIFLTQILSA-N
MW345.52 g/mol
LogP4.11
Rot. Bonds6

About (4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one (PubChem CID 154709765) has the molecular formula C19H27NO3Si and a molecular weight of 345.52 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one
PubChem CID154709765
Molecular FormulaC19H27NO3Si
Molecular Weight345.52 g/mol
Exact Mass345.18
IUPAC Name(4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one
SMILESCC(/C=C/C[Si](C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H27NO3Si/c1-15(9-8-12-24(2,3)4)18(21)20-17(14-23-19(20)22)13-16-10-6-5-7-11-16/h5-11,15,17H,12-14H2,1-4H3/b9-8+/t15?,17-/m1/s1
InChIKeyHVLCWAZIBMHRDM-CIFLTQILSA-N
XLogP4.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one (CID 154709765) is (4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one is CC(/C=C/C[Si](C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is HVLCWAZIBMHRDM-CIFLTQILSA-N. The full InChI is InChI=1S/C19H27NO3Si/c1-15(9-8-12-24(2,3)4)18(21)20-17(14-23-19(20)22)13-16-10-6-5-7-11-16/h5-11,15,17H,12-14H2,1-4H3/b9-8+/t15?,17-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 345.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154709765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).