(4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C18H27NO3Si — CID 135085945

IUPAC(4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1ccc(/C=C(\O[Si](C)(C)C)N2C(=O)OC[C@H]2C(C)C)cc1
InChIInChI=1S/C18H27NO3Si/c1-13(2)16-12-21-18(20)19(16)17(22-23(4,5)6)11-15-9-7-14(3)8-10-15/h7-11,13,16H,12H2,1-6H3/b17-11-/t16-/m0/s1
InChIKeyVSARVOKQLUAYSN-FDIDWWNZSA-N
MW333.50 g/mol
LogP4.62
Rot. Bonds5

About (4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135085945) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is (4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135085945
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name(4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1ccc(/C=C(\O[Si](C)(C)C)N2C(=O)OC[C@H]2C(C)C)cc1
InChIInChI=1S/C18H27NO3Si/c1-13(2)16-12-21-18(20)19(16)17(22-23(4,5)6)11-15-9-7-14(3)8-10-15/h7-11,13,16H,12H2,1-6H3/b17-11-/t16-/m0/s1
InChIKeyVSARVOKQLUAYSN-FDIDWWNZSA-N
XLogP4.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.62
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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Related Compounds

3-[(Z)-2-phenyl-2-triethylsilylethenyl]-1,3-oxazolidin-2-one
CID 138978329
(4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one
CID 57341166
(4S)-3-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101082490
(4S)-3-(2-phenylethynyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101082493
3-[(E)-2-[dimethyl(phenyl)silyl]-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132504006
3-[(E)-2-phenyl-2-triethylsilylethenyl]-1,3-oxazolidin-2-one
CID 132504009
(4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one
CID 132603924
(4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one
CID 134918130
(4R)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one
CID 134948844
(4S)-3-(1-phenylbuta-2,3-dien-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135064824
(4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135078322
(4R)-3-[(Z)-2-(2-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135078482

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135085945) is (4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1ccc(/C=C(\O[Si](C)(C)C)N2C(=O)OC[C@H]2C(C)C)cc1.
What is the InChIKey of (4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is VSARVOKQLUAYSN-FDIDWWNZSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-13(2)16-12-21-18(20)19(16)17(22-23(4,5)6)11-15-9-7-14(3)8-10-15/h7-11,13,16H,12H2,1-6H3/b17-11-/t16-/m0/s1.
What are the key properties of (4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 333.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135085945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).