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

C21H33NO3Si — CID 135078322

IUPAC(4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1/C(=C/c1ccc(C(C)(C)C)cc1)O[Si](C)(C)C
InChIInChI=1S/C21H33NO3Si/c1-15(2)18-14-24-20(23)22(18)19(25-26(6,7)8)13-16-9-11-17(12-10-16)21(3,4)5/h9-13,15,18H,14H2,1-8H3/b19-13-/t18-/m0/s1
InChIKeyBDJDAAXAUTUSRP-UZNZLNSGSA-N
MW375.59 g/mol
LogP5.61
Rot. Bonds5

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

(4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135078322) has the molecular formula C21H33NO3Si and a molecular weight of 375.59 g/mol. Its IUPAC name is (4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135078322
Molecular FormulaC21H33NO3Si
Molecular Weight375.59 g/mol
Exact Mass375.22
IUPAC Name(4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1/C(=C/c1ccc(C(C)(C)C)cc1)O[Si](C)(C)C
InChIInChI=1S/C21H33NO3Si/c1-15(2)18-14-24-20(23)22(18)19(25-26(6,7)8)13-16-9-11-17(12-10-16)21(3,4)5/h9-13,15,18H,14H2,1-8H3/b19-13-/t18-/m0/s1
InChIKeyBDJDAAXAUTUSRP-UZNZLNSGSA-N
XLogP5.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.59
LogP ≤ 55.61
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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Launch Full Analysis

Related Compounds

(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-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101348788
(4S)-4-benzyl-3-[(E)-2-methyl-1-triethylsilyloxyhex-1-enyl]-1,3-oxazolidin-2-one
CID 132603924
(4R)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one
CID 134948844
(4R)-3-[(Z)-2-(2-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135078482
(4R)-3-[(Z)-2-(4-methylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135085945
(r,e)-4-Benzyl-3-(1-((t-butyldimethylsilyl)oxy)-2-methylbuta-1,3-dien-1-yl)oxazolidin-2-one
CID 146162340
Hfjlcohhzlquff-uyrxbgfrsa-
CID 23256055
(4S)-3-[(Z)-1-hydroxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10467836
(4S)-3-[(Z)-1-hydroxy-3-(4-phenylphenyl)prop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11024201
(4R)-3-[(Z)-1-dibutylboranyloxy-3-phenylprop-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11025448
(4S)-4-benzyl-3-[(Z)-1-trimethylsilyloxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 11077614

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135078322) is (4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1COC(=O)N1/C(=C/c1ccc(C(C)(C)C)cc1)O[Si](C)(C)C.
What is the InChIKey of (4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BDJDAAXAUTUSRP-UZNZLNSGSA-N. The full InChI is InChI=1S/C21H33NO3Si/c1-15(2)18-14-24-20(23)22(18)19(25-26(6,7)8)13-16-9-11-17(12-10-16)21(3,4)5/h9-13,15,18H,14H2,1-8H3/b19-13-/t18-/m0/s1.
What are the key properties of (4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(Z)-2-(4-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 375.59 g/mol, XLogP of 5.61, 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-tert-butylphenyl)-1-trimethylsilyloxyethenyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135078322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).