(4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one

C34H39NO3Si — CID 135066368

IUPAC(4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one
SMILESC=C=C(C/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C34H39NO3Si/c1-5-29(35-30(27-37-33(35)36)26-28-18-10-6-11-19-28)20-12-9-17-25-38-39(34(2,3)4,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h6-16,18-19,21-24,30H,1,17,20,25-27H2,2-4H3/b12-9+/t30-/m1/s1
InChIKeyIMDNTEFNTSWGCO-LFNCSFBISA-N
MW537.78 g/mol
LogP6.63
Rot. Bonds11

About (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one (PubChem CID 135066368) has the molecular formula C34H39NO3Si and a molecular weight of 537.78 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one
PubChem CID135066368
Molecular FormulaC34H39NO3Si
Molecular Weight537.78 g/mol
Exact Mass537.27
IUPAC Name(4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one
SMILESC=C=C(C/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C34H39NO3Si/c1-5-29(35-30(27-37-33(35)36)26-28-18-10-6-11-19-28)20-12-9-17-25-38-39(34(2,3)4,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h6-16,18-19,21-24,30H,1,17,20,25-27H2,2-4H3/b12-9+/t30-/m1/s1
InChIKeyIMDNTEFNTSWGCO-LFNCSFBISA-N
XLogP6.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.78
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-benzyl-3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 177852177
(4S)-3-[(E,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101174118
(4S)-4-benzyl-3-[(Z)-2-phenyl-2-triethylsilylethenyl]-1,3-oxazolidin-2-one
CID 141535283
(+/-)-tert-Butyl-2-({[tert-butyl(diphenyl)silyl]oxy}methyl)-3-(2,5-difluorophenyl)-5-phenyl-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 68887446
4-Benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one
CID 143671676
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,5-dihydropyrrole-1-carboxylate
CID 163225162
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,5-dihydropyrrole-1-carboxylate
CID 175438698
tert-butyl (2S,3S,5R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate
CID 10885794
(4S)-3-[(4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11260848
(4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 11312005
(4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 11553780
(4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one
CID 11785349

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one (CID 135066368) is (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one is C=C=C(C/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is IMDNTEFNTSWGCO-LFNCSFBISA-N. The full InChI is InChI=1S/C34H39NO3Si/c1-5-29(35-30(27-37-33(35)36)26-28-18-10-6-11-19-28)20-12-9-17-25-38-39(34(2,3)4,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h6-16,18-19,21-24,30H,1,17,20,25-27H2,2-4H3/b12-9+/t30-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 537.78 g/mol, XLogP of 6.63, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135066368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).