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

C19H29NO3Si — CID 11268042

IUPAC(4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H29NO3Si/c1-14(24(5,6)15-10-8-7-9-11-15)12-17(21)20-16(19(2,3)4)13-23-18(20)22/h7-11,14,16H,12-13H2,1-6H3/t14-,16-/m1/s1
InChIKeyWRPPQQLNUOWMQV-GDBMZVCRSA-N
MW347.53 g/mol
LogP3.78
Rot. Bonds4

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

(4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 11268042) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID11268042
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Name(4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H29NO3Si/c1-14(24(5,6)15-10-8-7-9-11-15)12-17(21)20-16(19(2,3)4)13-23-18(20)22/h7-11,14,16H,12-13H2,1-6H3/t14-,16-/m1/s1
InChIKeyWRPPQQLNUOWMQV-GDBMZVCRSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.78
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
tert-butyl (4R)-4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15383274
(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-benzyl-3-(3,3-dimethylbutanoyl)oxazolidin-2-one
CID 15597775
(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
3-[(3R)-3-[dimethyl(phenyl)silyl]heptanoyl]-1,3-oxazolidin-2-one
CID 101864905
(4R)-4-benzyl-3-[(Z,2R)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 134983265
(4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 154709765
(4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 640416
3-[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 10019755
(4S)-4-tert-butyl-3-[(3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11199712

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one (CID 11268042) is (4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one is 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-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is WRPPQQLNUOWMQV-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-14(24(5,6)15-10-8-7-9-11-15)12-17(21)20-16(19(2,3)4)13-23-18(20)22/h7-11,14,16H,12-13H2,1-6H3/t14-,16-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one?
(4S)-4-tert-butyl-3-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 347.53 g/mol, XLogP of 3.78, 4 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-[(3R)-3-[dimethyl(phenyl)silyl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11268042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).