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

C16H23BrFNO3Si — CID 68547383

IUPAC(5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CN(c2ccc(Br)c(F)c2)C(=O)O1
InChIInChI=1S/C16H23BrFNO3Si/c1-16(2,3)23(4,5)21-10-12-9-19(15(20)22-12)11-6-7-13(17)14(18)8-11/h6-8,12H,9-10H2,1-5H3/t12-/m0/s1
InChIKeyAKCQUCGDTUTPMO-LBPRGKRZSA-N
MW404.35 g/mol
LogP4.94
Rot. Bonds4

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

(5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 68547383) has the molecular formula C16H23BrFNO3Si and a molecular weight of 404.35 g/mol. Its IUPAC name is (5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID68547383
Molecular FormulaC16H23BrFNO3Si
Molecular Weight404.35 g/mol
Exact Mass403.06
IUPAC Name(5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CN(c2ccc(Br)c(F)c2)C(=O)O1
InChIInChI=1S/C16H23BrFNO3Si/c1-16(2,3)23(4,5)21-10-12-9-19(15(20)22-12)11-6-7-13(17)14(18)8-11/h6-8,12H,9-10H2,1-5H3/t12-/m0/s1
InChIKeyAKCQUCGDTUTPMO-LBPRGKRZSA-N
XLogP4.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.94
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 (5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one (CID 68547383) is (5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CN(c2ccc(Br)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is AKCQUCGDTUTPMO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23BrFNO3Si/c1-16(2,3)23(4,5)21-10-12-9-19(15(20)22-12)11-6-7-13(17)14(18)8-11/h6-8,12H,9-10H2,1-5H3/t12-/m0/s1.
What are the key properties of (5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one?
(5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 404.35 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-bromo-3-fluorophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68547383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).