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

C25H31NO3Si — CID 11495484

IUPAC(4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C/C=C/[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C25H31NO3Si/c1-30(2,3)16-10-15-22(17-20-11-6-4-7-12-20)24(27)26-23(19-29-25(26)28)18-21-13-8-5-9-14-21/h4-15,22-23H,16-19H2,1-3H3/b15-10+/t22-,23+/m0/s1
InChIKeyKSRUGOKADREQBA-UKRIWCLYSA-N
MW421.61 g/mol
LogP5.33
Rot. Bonds8

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

(4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one (PubChem CID 11495484) has the molecular formula C25H31NO3Si and a molecular weight of 421.61 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one
PubChem CID11495484
Molecular FormulaC25H31NO3Si
Molecular Weight421.61 g/mol
Exact Mass421.21
IUPAC Name(4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C/C=C/[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C25H31NO3Si/c1-30(2,3)16-10-15-22(17-20-11-6-4-7-12-20)24(27)26-23(19-29-25(26)28)18-21-13-8-5-9-14-21/h4-15,22-23H,16-19H2,1-3H3/b15-10+/t22-,23+/m0/s1
InChIKeyKSRUGOKADREQBA-UKRIWCLYSA-N
XLogP5.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.61
LogP ≤ 55.33
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,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one (CID 11495484) is (4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one is C[Si](C)(C)C/C=C/[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is KSRUGOKADREQBA-UKRIWCLYSA-N. The full InChI is InChI=1S/C25H31NO3Si/c1-30(2,3)16-10-15-22(17-20-11-6-4-7-12-20)24(27)26-23(19-29-25(26)28)18-21-13-8-5-9-14-21/h4-15,22-23H,16-19H2,1-3H3/b15-10+/t22-,23+/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(E,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 421.61 g/mol, XLogP of 5.33, 8 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,2R)-2-benzyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11495484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).