(4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one

C31H45NO6Si — CID 132553527

IUPAC(4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)OC[C@@H](C)[C@H](OCc1ccc(OC)cc1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C31H45NO6Si/c1-7-39(8-2,9-3)38-20-23(4)29(36-21-26-15-17-28(35-6)18-16-26)24(5)30(33)32-27(22-37-31(32)34)19-25-13-11-10-12-14-25/h10-18,23-24,27,29H,7-9,19-22H2,1-6H3/t23-,24-,27-,29+/m1/s1
InChIKeyWOTVECSLKUAZQE-ROKVWPKNSA-N
MW555.79 g/mol
LogP6.46
Rot. Bonds15

About (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one (PubChem CID 132553527) has the molecular formula C31H45NO6Si and a molecular weight of 555.79 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one
PubChem CID132553527
Molecular FormulaC31H45NO6Si
Molecular Weight555.79 g/mol
Exact Mass555.30
IUPAC Name(4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)OC[C@@H](C)[C@H](OCc1ccc(OC)cc1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C31H45NO6Si/c1-7-39(8-2,9-3)38-20-23(4)29(36-21-26-15-17-28(35-6)18-16-26)24(5)30(33)32-27(22-37-31(32)34)19-25-13-11-10-12-14-25/h10-18,23-24,27,29H,7-9,19-22H2,1-6H3/t23-,24-,27-,29+/m1/s1
InChIKeyWOTVECSLKUAZQE-ROKVWPKNSA-N
XLogP6.46
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.79
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(2S,3S)-3-butoxy-4,4-dimethoxy-2-methylbutanoyl]-1,3-oxazolidin-2-one
CID 90320710
(E,2S,3R,4S,8S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-2,4,8-trimethylnon-5-ene-1,7-dione
CID 11296643
(4S)-3-(2-chloropropanoyl)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 139669353
(4S)-3-(2-bromopropanoyl)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 139669360
(4R)-4-benzyl-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one
CID 72723548
(4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 68970239
(4S)-3-[(2S)-2-azido-2-(4-methoxyphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
CID 10546847
(4R)-4-benzyl-3-[(2R,3S)-2-ethenyl-3-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanoyl]-1,3-oxazolidin-2-one
CID 166513975
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
(4R)-4-benzyl-3-[(E,2R,3R,4R,5S)-3,5-dimethoxy-2,4-dimethyl-7-phenylhept-6-enoyl]-1,3-oxazolidin-2-one
CID 102589617
(4R)-4-benzyl-3-[(2R,3R,4S,5S,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoyl]-1,3-oxazolidin-2-one
CID 102325351
(4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10792880

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one (CID 132553527) is (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one is CC[Si](CC)(CC)OC[C@@H](C)[C@H](OCc1ccc(OC)cc1)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is WOTVECSLKUAZQE-ROKVWPKNSA-N. The full InChI is InChI=1S/C31H45NO6Si/c1-7-39(8-2,9-3)38-20-23(4)29(36-21-26-15-17-28(35-6)18-16-26)24(5)30(33)32-27(22-37-31(32)34)19-25-13-11-10-12-14-25/h10-18,23-24,27,29H,7-9,19-22H2,1-6H3/t23-,24-,27-,29+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 555.79 g/mol, XLogP of 6.46, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 132553527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).