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

C21H33NO3Si — CID 11199712

IUPAC(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H33NO3Si/c1-15(2)17(26(6,7)16-11-9-8-10-12-16)13-19(23)22-18(21(3,4)5)14-25-20(22)24/h8-12,15,17-18H,13-14H2,1-7H3/t17-,18+/m0/s1
InChIKeyYFWLUODEONOAIN-ZWKOTPCHSA-N
MW375.59 g/mol
LogP4.41
Rot. Bonds5

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

(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 11199712) has the molecular formula C21H33NO3Si and a molecular weight of 375.59 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID11199712
Molecular FormulaC21H33NO3Si
Molecular Weight375.59 g/mol
Exact Mass375.22
IUPAC Name(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H33NO3Si/c1-15(2)17(26(6,7)16-11-9-8-10-12-16)13-19(23)22-18(21(3,4)5)14-25-20(22)24/h8-12,15,17-18H,13-14H2,1-7H3/t17-,18+/m0/s1
InChIKeyYFWLUODEONOAIN-ZWKOTPCHSA-N
XLogP4.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.59
LogP ≤ 54.41
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

(E,3S)-7-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal
CID 11315596
(4S)-4-tert-butyl-3-[(E,2S,3S)-5-[dimethyl(phenyl)silyl]-2-ethenyl-3-trimethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
CID 134875401
(S)-4-isopropyl-3-(3-phenylpropanoyl)oxazolidin-2-one
CID 10467835
4(S)-(1-methylethyl)-3-(2(R)-methyl-1-oxo-3-phenylpropyl)-2-oxazolidinone
CID 10901828
(4R)-4-benzyl-3-[(2R,3E)-2-methyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 57801802
(4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10402611
(4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one
CID 54597395
(4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 54768060
(4R)-4-benzyl-3-[7-[tert-butyl(dimethyl)silyl]oxyheptanoyl]-1,3-oxazolidin-2-one
CID 72163233
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
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one (CID 11199712) is (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one is CC(C)[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is YFWLUODEONOAIN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H33NO3Si/c1-15(2)17(26(6,7)16-11-9-8-10-12-16)13-19(23)22-18(21(3,4)5)14-25-20(22)24/h8-12,15,17-18H,13-14H2,1-7H3/t17-,18+/m0/s1.
What are the key properties of (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one?
(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 375.59 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11199712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).