(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one

C27H28FNO4Si — CID 102046797

IUPAC(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C27H28FNO4Si/c1-34(2,22-11-7-4-8-12-22)18-23(25(30)20-13-15-21(28)16-14-20)26(31)29-24(17-33-27(29)32)19-9-5-3-6-10-19/h3-16,23-25,30H,17-18H2,1-2H3/t23-,24+,25+/m0/s1
InChIKeyMTBGRWOFPCXZOO-ISJGIBHGSA-N
MW477.61 g/mol
LogP4.81
Rot. Bonds7

About (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 102046797) has the molecular formula C27H28FNO4Si and a molecular weight of 477.61 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID102046797
Molecular FormulaC27H28FNO4Si
Molecular Weight477.61 g/mol
Exact Mass477.18
IUPAC Name(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C27H28FNO4Si/c1-34(2,22-11-7-4-8-12-22)18-23(25(30)20-13-15-21(28)16-14-20)26(31)29-24(17-33-27(29)32)19-9-5-3-6-10-19/h3-16,23-25,30H,17-18H2,1-2H3/t23-,24+,25+/m0/s1
InChIKeyMTBGRWOFPCXZOO-ISJGIBHGSA-N
XLogP4.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 102046797) is (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[Si](C)(C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is MTBGRWOFPCXZOO-ISJGIBHGSA-N. The full InChI is InChI=1S/C27H28FNO4Si/c1-34(2,22-11-7-4-8-12-22)18-23(25(30)20-13-15-21(28)16-14-20)26(31)29-24(17-33-27(29)32)19-9-5-3-6-10-19/h3-16,23-25,30H,17-18H2,1-2H3/t23-,24+,25+/m0/s1.
What are the key properties of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 477.61 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102046797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).