(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one

C18H28FNO3Si — CID 67130916

IUPAC(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C(=O)OC[C@@H]2CCO[Si](C)(C)C(C)(C)C)cc1F
InChIInChI=1S/C18H28FNO3Si/c1-13-7-8-14(11-16(13)19)20-15(12-22-17(20)21)9-10-23-24(5,6)18(2,3)4/h7-8,11,15H,9-10,12H2,1-6H3/t15-/m0/s1
InChIKeyJQLCSLZWFHWUFD-HNNXBMFYSA-N
MW353.51 g/mol
LogP4.87
Rot. Bonds5

About (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one

(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 67130916) has the molecular formula C18H28FNO3Si and a molecular weight of 353.51 g/mol. Its IUPAC name is (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID67130916
Molecular FormulaC18H28FNO3Si
Molecular Weight353.51 g/mol
Exact Mass353.18
IUPAC Name(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C(=O)OC[C@@H]2CCO[Si](C)(C)C(C)(C)C)cc1F
InChIInChI=1S/C18H28FNO3Si/c1-13-7-8-14(11-16(13)19)20-15(12-22-17(20)21)9-10-23-24(5,6)18(2,3)4/h7-8,11,15H,9-10,12H2,1-6H3/t15-/m0/s1
InChIKeyJQLCSLZWFHWUFD-HNNXBMFYSA-N
XLogP4.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one (CID 67130916) is (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one is Cc1ccc(N2C(=O)OC[C@@H]2CCO[Si](C)(C)C(C)(C)C)cc1F.
What is the InChIKey of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is JQLCSLZWFHWUFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28FNO3Si/c1-13-7-8-14(11-16(13)19)20-15(12-22-17(20)21)9-10-23-24(5,6)18(2,3)4/h7-8,11,15H,9-10,12H2,1-6H3/t15-/m0/s1.
What are the key properties of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one?
(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 353.51 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67130916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).