(4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one

C22H35NO4Si — CID 135065742

IUPAC(4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si/c1-16(2)19(27-28(6,7)22(3,4)5)14-20(24)23-18(15-26-21(23)25)13-17-11-9-8-10-12-17/h8-12,16,18-19H,13-15H2,1-7H3/t18-,19+/m0/s1
InChIKeyHTJJCAMGVSLTFC-RBUKOAKNSA-N
MW405.61 g/mol
LogP5.01
Rot. Bonds7

About (4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 135065742) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID135065742
Molecular FormulaC22H35NO4Si
Molecular Weight405.61 g/mol
Exact Mass405.23
IUPAC Name(4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si/c1-16(2)19(27-28(6,7)22(3,4)5)14-20(24)23-18(15-26-21(23)25)13-17-11-9-8-10-12-17/h8-12,16,18-19H,13-15H2,1-7H3/t18-,19+/m0/s1
InChIKeyHTJJCAMGVSLTFC-RBUKOAKNSA-N
XLogP5.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
[(4R,5S)-4-benzyl-3-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate
CID 11474746
(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
(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
(S)-4-Benzyl-3-hexanoyl-2-oxazolidinone
CID 10612452
(4S)-4-benzyl-3-[(2S)-2-methylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 11033035

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one (CID 135065742) is (4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one is CC(C)[C@@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HTJJCAMGVSLTFC-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-16(2)19(27-28(6,7)22(3,4)5)14-20(24)23-18(15-26-21(23)25)13-17-11-9-8-10-12-17/h8-12,16,18-19H,13-15H2,1-7H3/t18-,19+/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 405.61 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135065742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).