(4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one

C30H35NO4Si — CID 139089680

IUPAC(4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1[C@H]([C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C30H35NO4Si/c1-5-26-28(35-29(33)31(26)21-23-15-9-6-10-16-23)27(32)22-34-36(30(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h5-20,26-28,32H,1,21-22H2,2-4H3/t26-,27+,28+/m0/s1
InChIKeyYAOAYZFLJMUVPO-UPRLRBBYSA-N
MW501.70 g/mol
LogP4.50
Rot. Bonds9

About (4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one

(4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one (PubChem CID 139089680) has the molecular formula C30H35NO4Si and a molecular weight of 501.70 g/mol. Its IUPAC name is (4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one
PubChem CID139089680
Molecular FormulaC30H35NO4Si
Molecular Weight501.70 g/mol
Exact Mass501.23
IUPAC Name(4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1[C@H]([C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C30H35NO4Si/c1-5-26-28(35-29(33)31(26)21-23-15-9-6-10-16-23)27(32)22-34-36(30(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h5-20,26-28,32H,1,21-22H2,2-4H3/t26-,27+,28+/m0/s1
InChIKeyYAOAYZFLJMUVPO-UPRLRBBYSA-N
XLogP4.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.70
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate
CID 155814913
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]prop-2-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 15441173
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985157
tert-butyl (2S,4R)-2-[(1R)-1-[benzyl(hydroxy)amino]ethyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985158
tert-butyl (2S,4R)-2-[(1R)-1-[benzyl(hydroxy)amino]prop-2-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985159
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]but-3-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985160
tert-butyl (2S,4R)-2-[(1R)-1-[benzyl(hydroxy)amino]but-3-enyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 100985161
(E,1S,2S)-2-(dibenzylamino)-1-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-4-phenylbut-3-en-1-ol
CID 122218323
(4S,5S)-3-benzhydryl-5-[(1R)-2-hydroxy-1-pentan-3-yloxyethyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 134841597
[(2R)-2-[(4S,5S)-3-benzhydryl-2-oxo-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-5-yl]-2-pentan-3-yloxyethyl] tert-butyl carbonate
CID 134841600
ethyl (E)-3-[(4S,5S)-3-benzhydryl-5-[(1R)-2-hydroxy-1-pentan-3-yloxyethyl]-2-oxo-1,3-oxazolidin-4-yl]prop-2-enoate
CID 134841687
tert-butyl (2S,4R)-2-[(1S)-1-[benzyl(hydroxy)amino]propyl]-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1-carboxylate
CID 134925782

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one (CID 139089680) is (4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one is C=C[C@H]1[C@H]([C@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is YAOAYZFLJMUVPO-UPRLRBBYSA-N. The full InChI is InChI=1S/C30H35NO4Si/c1-5-26-28(35-29(33)31(26)21-23-15-9-6-10-16-23)27(32)22-34-36(30(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h5-20,26-28,32H,1,21-22H2,2-4H3/t26-,27+,28+/m0/s1.
What are the key properties of (4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 501.70 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139089680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).