(4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one

C16H23NO3Si — CID 11077614

IUPAC(4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C(\O[Si](C)(C)C)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H23NO3Si/c1-5-15(20-21(2,3)4)17-14(12-19-16(17)18)11-13-9-7-6-8-10-13/h5-10,14H,11-12H2,1-4H3/b15-5-/t14-/m0/s1
InChIKeyALTAUWQGHYMFRO-URIHLITRSA-N
MW305.45 g/mol
LogP3.76
Rot. Bonds5

About (4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 11077614) has the molecular formula C16H23NO3Si and a molecular weight of 305.45 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID11077614
Molecular FormulaC16H23NO3Si
Molecular Weight305.45 g/mol
Exact Mass305.14
IUPAC Name(4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C(\O[Si](C)(C)C)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H23NO3Si/c1-5-15(20-21(2,3)4)17-14(12-19-16(17)18)11-13-9-7-6-8-10-13/h5-10,14H,11-12H2,1-4H3/b15-5-/t14-/m0/s1
InChIKeyALTAUWQGHYMFRO-URIHLITRSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one (CID 11077614) is (4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one is C/C=C(\O[Si](C)(C)C)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is ALTAUWQGHYMFRO-URIHLITRSA-N. The full InChI is InChI=1S/C16H23NO3Si/c1-5-15(20-21(2,3)4)17-14(12-19-16(17)18)11-13-9-7-6-8-10-13/h5-10,14H,11-12H2,1-4H3/b15-5-/t14-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 305.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11077614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).