(4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C31H35NO4Si — CID 101174118

IUPAC(4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H](/C=C/C(=O)N1C(=O)OC[C@@H]1c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H35NO4Si/c1-24(20-21-29(33)32-28(23-35-30(32)34)25-14-8-5-9-15-25)22-36-37(31(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-21,24,28H,22-23H2,1-4H3/b21-20+/t24-,28-/m1/s1
InChIKeyNYUMSCBMHXOZGH-JJPDICORSA-N
MW513.71 g/mol
LogP5.48
Rot. Bonds8

About (4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101174118) has the molecular formula C31H35NO4Si and a molecular weight of 513.71 g/mol. Its IUPAC name is (4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101174118
Molecular FormulaC31H35NO4Si
Molecular Weight513.71 g/mol
Exact Mass513.23
IUPAC Name(4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H](/C=C/C(=O)N1C(=O)OC[C@@H]1c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H35NO4Si/c1-24(20-21-29(33)32-28(23-35-30(32)34)25-14-8-5-9-15-25)22-36-37(31(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-21,24,28H,22-23H2,1-4H3/b21-20+/t24-,28-/m1/s1
InChIKeyNYUMSCBMHXOZGH-JJPDICORSA-N
XLogP5.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.71
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 101174118) is (4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@H](/C=C/C(=O)N1C(=O)OC[C@@H]1c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is NYUMSCBMHXOZGH-JJPDICORSA-N. The full InChI is InChI=1S/C31H35NO4Si/c1-24(20-21-29(33)32-28(23-35-30(32)34)25-14-8-5-9-15-25)22-36-37(31(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-21,24,28H,22-23H2,1-4H3/b21-20+/t24-,28-/m1/s1.
What are the key properties of (4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 513.71 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101174118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).