3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one

C18H27NO3Si — CID 135581010

IUPAC3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]([C@@H](C)C(=O)N1CCOC1=O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H27NO3Si/c1-13(2)16(23(4,5)15-9-7-6-8-10-15)14(3)17(20)19-11-12-22-18(19)21/h6-10,13-14,16H,11-12H2,1-5H3/t14-,16-/m1/s1
InChIKeyZEKBECSNDCCLOL-GDBMZVCRSA-N
MW333.50 g/mol
LogP3.24
Rot. Bonds5

About 3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one

3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 135581010) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is 3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID135581010
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]([C@@H](C)C(=O)N1CCOC1=O)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H27NO3Si/c1-13(2)16(23(4,5)15-9-7-6-8-10-15)14(3)17(20)19-11-12-22-18(19)21/h6-10,13-14,16H,11-12H2,1-5H3/t14-,16-/m1/s1
InChIKeyZEKBECSNDCCLOL-GDBMZVCRSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(7-Phenylheptanoyl)-1,3-oxazolidin-2-one
CID 132141184
(E,3S)-7-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal
CID 11315596
(4R)-4-benzyl-3-[(2R,3E)-2-methyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 57801802
3-(8-Phenyloctanoyl)-1,3-oxazolidin-2-one
CID 132141155
3-(2-Methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10775989
(4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10402611
3-[(3S)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 10901394
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 24879940
3-(4-Methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
CID 85308528
3-[(3R)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one
CID 101864905
3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 102326549

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one (CID 135581010) is 3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one is CC(C)[C@H]([C@@H](C)C(=O)N1CCOC1=O)[Si](C)(C)c1ccccc1.
What is the InChIKey of 3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ZEKBECSNDCCLOL-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-13(2)16(23(4,5)15-9-7-6-8-10-15)14(3)17(20)19-11-12-22-18(19)21/h6-10,13-14,16H,11-12H2,1-5H3/t14-,16-/m1/s1.
What are the key properties of 3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 333.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135581010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).