(4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one

C17H27NO2Si — CID 175445190

IUPAC(4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N[C@H]1c1ccc([Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2Si/c1-16(2,3)21(6,7)13-10-8-12(9-11-13)14-17(4,5)20-15(19)18-14/h8-11,14H,1-7H3,(H,18,19)/t14-/m0/s1
InChIKeyJAOXPAARFGPHRO-AWEZNQCLSA-N
MW305.49 g/mol
LogP3.96
Rot. Bonds2

About (4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one

(4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 175445190) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is (4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID175445190
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name(4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N[C@H]1c1ccc([Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2Si/c1-16(2,3)21(6,7)13-10-8-12(9-11-13)14-17(4,5)20-15(19)18-14/h8-11,14H,1-7H3,(H,18,19)/t14-/m0/s1
InChIKeyJAOXPAARFGPHRO-AWEZNQCLSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 175445190) is (4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N[C@H]1c1ccc([Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is JAOXPAARFGPHRO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-16(2,3)21(6,7)13-10-8-12(9-11-13)14-17(4,5)20-15(19)18-14/h8-11,14H,1-7H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
(4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 305.49 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 175445190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).