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

C27H36FNO4Si — CID 59643923

IUPAC(4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C27H36FNO4Si/c1-27(2,3)34(4,5)33-24(21-14-16-22(28)17-15-21)12-9-13-25(30)29-23(19-32-26(29)31)18-20-10-7-6-8-11-20/h6-8,10-11,14-17,23-24H,9,12-13,18-19H2,1-5H3/t23-,24-/m0/s1
InChIKeyJISLFZJXALSOTM-ZEQRLZLVSA-N
MW485.67 g/mol
LogP6.65
Rot. Bonds9

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

(4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one (PubChem CID 59643923) has the molecular formula C27H36FNO4Si and a molecular weight of 485.67 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
PubChem CID59643923
Molecular FormulaC27H36FNO4Si
Molecular Weight485.67 g/mol
Exact Mass485.24
IUPAC Name(4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C27H36FNO4Si/c1-27(2,3)34(4,5)33-24(21-14-16-22(28)17-15-21)12-9-13-25(30)29-23(19-32-26(29)31)18-20-10-7-6-8-11-20/h6-8,10-11,14-17,23-24H,9,12-13,18-19H2,1-5H3/t23-,24-/m0/s1
InChIKeyJISLFZJXALSOTM-ZEQRLZLVSA-N
XLogP6.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 56.65
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)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one (CID 59643923) is (4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)O[C@@H](CCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is JISLFZJXALSOTM-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H36FNO4Si/c1-27(2,3)34(4,5)33-24(21-14-16-22(28)17-15-21)12-9-13-25(30)29-23(19-32-26(29)31)18-20-10-7-6-8-11-20/h6-8,10-11,14-17,23-24H,9,12-13,18-19H2,1-5H3/t23-,24-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 485.67 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59643923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).