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

C31H45NO6Si — CID 10792880

IUPAC(4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)COCc1ccc(OC)cc1)[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C31H45NO6Si/c1-8-39(9-2,10-3)38-28(22(4)20-36-21-25-16-18-27(35-7)19-17-25)23(5)30(33)32-24(6)29(37-31(32)34)26-14-12-11-13-15-26/h11-19,22-24,28-29H,8-10,20-21H2,1-7H3/t22-,23+,24+,28-,29+/m0/s1
InChIKeyOSKFYAYOTRICHA-CPMLRDBWSA-N
MW555.79 g/mol
LogP6.98
Rot. Bonds14

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

(4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 10792880) has the molecular formula C31H45NO6Si and a molecular weight of 555.79 g/mol. Its IUPAC name is (4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID10792880
Molecular FormulaC31H45NO6Si
Molecular Weight555.79 g/mol
Exact Mass555.30
IUPAC Name(4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)COCc1ccc(OC)cc1)[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C31H45NO6Si/c1-8-39(9-2,10-3)38-28(22(4)20-36-21-25-16-18-27(35-7)19-17-25)23(5)30(33)32-24(6)29(37-31(32)34)26-14-12-11-13-15-26/h11-19,22-24,28-29H,8-10,20-21H2,1-7H3/t22-,23+,24+,28-,29+/m0/s1
InChIKeyOSKFYAYOTRICHA-CPMLRDBWSA-N
XLogP6.98
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.79
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

(4R,5S)-3-[(2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11176533
(4R,5S)-3-[(2S)-2-methoxy-3-phenylmethoxypropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10981479
(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
CID 11176467
(4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one
CID 132553527
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
(4R,5S)-4-methyl-3-[(2S)-2-phenoxypropanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 139070120
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
1-[(4-chlorophenyl)methyl]-3-[(2R,3R)-3-methyl-4-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-4-oxobutan-2-yl]-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 130278560
methyl (E,4S,5R,6S)-4,6-dimethyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-enoate
CID 71733874
(4R,5S)-4-methyl-5-phenyl-3-[(Z)-5-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 11079051
(4R,5S)-3-[(2S,3R)-3-fluoro-2-methylhexadecanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 16720436
benzyl N-[(2S)-2-benzyl-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
CID 10838182

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (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) is (4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is CC[Si](CC)(CC)O[C@@H]([C@@H](C)COCc1ccc(OC)cc1)[C@@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is OSKFYAYOTRICHA-CPMLRDBWSA-N. The full InChI is InChI=1S/C31H45NO6Si/c1-8-39(9-2,10-3)38-28(22(4)20-36-21-25-16-18-27(35-7)19-17-25)23(5)30(33)32-24(6)29(37-31(32)34)26-14-12-11-13-15-26/h11-19,22-24,28-29H,8-10,20-21H2,1-7H3/t22-,23+,24+,28-,29+/m0/s1.
What are the key properties of (4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 555.79 g/mol, XLogP of 6.98, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2R,3S,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10792880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).