(4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one

C32H47NO5Si — CID 176878343

IUPAC(4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@H](C[C@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](CC)(CC)CC)OCc1ccccc1
InChIInChI=1S/C32H47NO5Si/c1-6-25(5)30(36-23-27-18-14-11-15-19-27)21-29(38-39(7-2,8-3)9-4)22-31(34)33-28(24-37-32(33)35)20-26-16-12-10-13-17-26/h10-19,25,28-30H,6-9,20-24H2,1-5H3/t25-,28+,29+,30-/m0/s1
InChIKeyFYYWXIFHDRXKMQ-XHDJHXHHSA-N
MW553.82 g/mol
LogP7.38
Rot. Bonds16

About (4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one (PubChem CID 176878343) has the molecular formula C32H47NO5Si and a molecular weight of 553.82 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one
PubChem CID176878343
Molecular FormulaC32H47NO5Si
Molecular Weight553.82 g/mol
Exact Mass553.32
IUPAC Name(4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@H](C[C@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](CC)(CC)CC)OCc1ccccc1
InChIInChI=1S/C32H47NO5Si/c1-6-25(5)30(36-23-27-18-14-11-15-19-27)21-29(38-39(7-2,8-3)9-4)22-31(34)33-28(24-37-32(33)35)20-26-16-12-10-13-17-26/h10-19,25,28-30H,6-9,20-24H2,1-5H3/t25-,28+,29+,30-/m0/s1
InChIKeyFYYWXIFHDRXKMQ-XHDJHXHHSA-N
XLogP7.38
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.82
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
(4S)-3-[(2R)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15238249
(4S)-3-[(2R,3R,4S)-6-oxo-2-phenyl-4-(trifluoromethyl)oxane-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102172049
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11077752
(4R,5S)-4-methyl-5-phenyl-3-(3-phenyl-propionyl)oxazolidine-2-one
CID 13461718
(4S)-4-benzyl-3-[(2S)-2-methyl-5-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one
CID 22949804
(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363114
(4R)-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363267
(4S)-4-benzyl-3-[(2R)-2-phenyl-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
CID 86714918
(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 11050056
3-[5-(tert-Butyldimethylsilanyloxy)-5-(4-fluorophenyl)pentanoyl]4-phenyloxazolidin-2-one
CID 12111618

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one (CID 176878343) is (4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one is CC[C@H](C)[C@H](C[C@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](CC)(CC)CC)OCc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FYYWXIFHDRXKMQ-XHDJHXHHSA-N. The full InChI is InChI=1S/C32H47NO5Si/c1-6-25(5)30(36-23-27-18-14-11-15-19-27)21-29(38-39(7-2,8-3)9-4)22-31(34)33-28(24-37-32(33)35)20-26-16-12-10-13-17-26/h10-19,25,28-30H,6-9,20-24H2,1-5H3/t25-,28+,29+,30-/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one has a molecular weight of 553.82 g/mol, XLogP of 7.38, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(3R,5S,6S)-6-methyl-5-phenylmethoxy-3-triethylsilyloxyoctanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 176878343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).