(4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one

C20H29NO4Si — CID 53470477

IUPAC(4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
SMILES[2H]C([2H])([2H])[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O[Si](C)(C)C)C(=C)C
InChIInChI=1S/C20H29NO4Si/c1-14(2)18(25-26(4,5)6)15(3)19(22)21-17(13-24-20(21)23)12-16-10-8-7-9-11-16/h7-11,15,17-18H,1,12-13H2,2-6H3/t15-,17+,18-/m0/s1/i3D3
InChIKeyNZEIBNRSMYDYKH-UERSHFGQSA-N
MW378.56 g/mol
LogP4.01
Rot. Bonds8

About (4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 53470477) has the molecular formula C20H29NO4Si and a molecular weight of 378.56 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID53470477
Molecular FormulaC20H29NO4Si
Molecular Weight378.56 g/mol
Exact Mass378.21
IUPAC Name(4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
SMILES[2H]C([2H])([2H])[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O[Si](C)(C)C)C(=C)C
InChIInChI=1S/C20H29NO4Si/c1-14(2)18(25-26(4,5)6)15(3)19(22)21-17(13-24-20(21)23)12-16-10-8-7-9-11-16/h7-11,15,17-18H,1,12-13H2,2-6H3/t15-,17+,18-/m0/s1/i3D3
InChIKeyNZEIBNRSMYDYKH-UERSHFGQSA-N
XLogP4.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.01
H-Bond Donors ≤ 50
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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Launch Full Analysis

Related Compounds

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4R)-3-[(2R,3R,4S,6S)-7-azido-3,4-dimethoxy-2,6-dimethylheptanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 137658403
(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
(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone
CID 10966403
(2S)a1a[(4S)a4aBenzyla2aoxoa1,3aoxazolidina3ayl]a2a methylpentanea1,3adione
CID 11822363
(4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 135042445
4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 4050249
(R)-4-benzyl-3-((S)-2-methylpent-4-enoyl)oxazolidin-2-one
CID 9970521
(S)-4-Benzyl-3-(pent-4-enoyl)oxazolidin-2-one
CID 10491506

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one (CID 53470477) is (4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one is [2H]C([2H])([2H])[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O[Si](C)(C)C)C(=C)C.
What is the InChIKey of (4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is NZEIBNRSMYDYKH-UERSHFGQSA-N. The full InChI is InChI=1S/C20H29NO4Si/c1-14(2)18(25-26(4,5)6)15(3)19(22)21-17(13-24-20(21)23)12-16-10-8-7-9-11-16/h7-11,15,17-18H,1,12-13H2,2-6H3/t15-,17+,18-/m0/s1/i3D3.
What are the key properties of (4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 378.56 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2S,3R)-4-methyl-2-(trideuteriomethyl)-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 53470477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).