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

C22H35NO3Si — CID 135828013

IUPAC(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one
SMILESCCCC[C@@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H35NO3Si/c1-7-8-12-18(27(5,6)17-13-10-9-11-14-17)15-20(24)23-19(22(2,3)4)16-26-21(23)25/h9-11,13-14,18-19H,7-8,12,15-16H2,1-6H3/t18-,19+/m0/s1
InChIKeySKFRJDWZFPYZGG-RBUKOAKNSA-N
MW389.61 g/mol
LogP4.95
Rot. Bonds7

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

(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one (PubChem CID 135828013) has the molecular formula C22H35NO3Si and a molecular weight of 389.61 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one
PubChem CID135828013
Molecular FormulaC22H35NO3Si
Molecular Weight389.61 g/mol
Exact Mass389.24
IUPAC Name(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one
SMILESCCCC[C@@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H35NO3Si/c1-7-8-12-18(27(5,6)17-13-10-9-11-14-17)15-20(24)23-19(22(2,3)4)16-26-21(23)25/h9-11,13-14,18-19H,7-8,12,15-16H2,1-6H3/t18-,19+/m0/s1
InChIKeySKFRJDWZFPYZGG-RBUKOAKNSA-N
XLogP4.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.61
LogP ≤ 54.95
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

(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 132155630
(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-benzyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 11495484
3-[(3S)-3-[dimethyl(phenyl)silyl]-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 24879940
(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
(4R)-4-tert-butyl-3-[(2R)-2-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 101731334
(4R)-3-[(2R)-3,3-dimethyl-2-phenylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101731340
3-[(3R)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one
CID 101864905

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one (CID 135828013) is (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one is CCCC[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]heptanoyl]-1,3-oxazolidin-2-one?
The InChIKey is SKFRJDWZFPYZGG-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H35NO3Si/c1-7-8-12-18(27(5,6)17-13-10-9-11-14-17)15-20(24)23-19(22(2,3)4)16-26-21(23)25/h9-11,13-14,18-19H,7-8,12,15-16H2,1-6H3/t18-,19+/m0/s1.
What are the key properties of (4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one?
(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one has a molecular weight of 389.61 g/mol, XLogP of 4.95, 7 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]heptanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135828013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).