(4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one

C24H37NO5Si — CID 134972885

IUPAC(4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one
SMILESC/C(=C/CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H37NO5Si/c1-17(13-14-30-31(6,7)24(3,4)5)21(26)18(2)22(27)25-20(16-29-23(25)28)15-19-11-9-8-10-12-19/h8-13,18,20-21,26H,14-16H2,1-7H3/b17-13-/t18-,20-,21+/m1/s1
InChIKeyWMVBMXKXWLVMKP-POZOSAPKSA-N
MW447.65 g/mol
LogP4.54
Rot. Bonds8

About (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 134972885) has the molecular formula C24H37NO5Si and a molecular weight of 447.65 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID134972885
Molecular FormulaC24H37NO5Si
Molecular Weight447.65 g/mol
Exact Mass447.24
IUPAC Name(4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one
SMILESC/C(=C/CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C24H37NO5Si/c1-17(13-14-30-31(6,7)24(3,4)5)21(26)18(2)22(27)25-20(16-29-23(25)28)15-19-11-9-8-10-12-19/h8-13,18,20-21,26H,14-16H2,1-7H3/b17-13-/t18-,20-,21+/m1/s1
InChIKeyWMVBMXKXWLVMKP-POZOSAPKSA-N
XLogP4.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(4S)-4-[(E,1R)-1-hydroxyhexadec-2-enyl]-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 57392091
(4S)-4-benzyl-3-[(E,2S,3R)-3-hydroxy-2-(2,2,2-trifluoroethyl)hex-4-enoyl]-1,3-oxazolidin-2-one
CID 72547436
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-(2,2,2-trifluoroethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 102223808
(4S)-4-benzyl-3-[(E,2S,3R)-3-hydroxy-5-phenyl-2-(2,2,2-trifluoroethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 102223809
(4S)-4-benzyl-3-[(2S)-4,4,5,5,6,6,6-heptafluoro-2-[(1R)-1-hydroxyprop-2-enyl]hexanoyl]-1,3-oxazolidin-2-one
CID 102223810
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-[(2R)-1,1,1-trifluorobutan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 102223812
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-1,1,1-trifluorobutan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023007
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023031
(4R)-4-benzyl-3-[(2S,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 176430323

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one (CID 134972885) is (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one is C/C(=C/CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is WMVBMXKXWLVMKP-POZOSAPKSA-N. The full InChI is InChI=1S/C24H37NO5Si/c1-17(13-14-30-31(6,7)24(3,4)5)21(26)18(2)22(27)25-20(16-29-23(25)28)15-19-11-9-8-10-12-19/h8-13,18,20-21,26H,14-16H2,1-7H3/b17-13-/t18-,20-,21+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 447.65 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(Z,2R,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylhex-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134972885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).