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

C26H34FNO4Si — CID 70963068

IUPAC(4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C26H34FNO4Si/c1-26(2,3)33(4,5)32-23(20-14-16-21(27)17-15-20)12-9-13-24(29)28-22(18-31-25(28)30)19-10-7-6-8-11-19/h6-8,10-11,14-17,22-23H,9,12-13,18H2,1-5H3/t22-,23+/m1/s1
InChIKeyCQXYQHZDPOQVGG-PKTZIBPZSA-N
MW471.65 g/mol
LogP6.78
Rot. Bonds8

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

(4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 70963068) has the molecular formula C26H34FNO4Si and a molecular weight of 471.65 g/mol. Its IUPAC name is (4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID70963068
Molecular FormulaC26H34FNO4Si
Molecular Weight471.65 g/mol
Exact Mass471.22
IUPAC Name(4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C26H34FNO4Si/c1-26(2,3)33(4,5)32-23(20-14-16-21(27)17-15-20)12-9-13-24(29)28-22(18-31-25(28)30)19-10-7-6-8-11-19/h6-8,10-11,14-17,22-23H,9,12-13,18H2,1-5H3/t22-,23+/m1/s1
InChIKeyCQXYQHZDPOQVGG-PKTZIBPZSA-N
XLogP6.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 56.78
H-Bond Donors ≤ 50
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-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 70963068) is (4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)O[C@@H](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CQXYQHZDPOQVGG-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H34FNO4Si/c1-26(2,3)33(4,5)32-23(20-14-16-21(27)17-15-20)12-9-13-24(29)28-22(18-31-25(28)30)19-10-7-6-8-11-19/h6-8,10-11,14-17,22-23H,9,12-13,18H2,1-5H3/t22-,23+/m1/s1.
What are the key properties of (4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 471.65 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70963068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).