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

C20H31NO4Si — CID 54671782

IUPAC(4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)25-13-9-12-18(22)21-17(15-24-19(21)23)14-16-10-7-6-8-11-16/h6-8,10-11,17H,9,12-15H2,1-5H3/t17-/m0/s1
InChIKeyFNNZFAGGRZSAMM-KRWDZBQOSA-N
MW377.56 g/mol
LogP4.38
Rot. Bonds7

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

(4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one (PubChem CID 54671782) has the molecular formula C20H31NO4Si and a molecular weight of 377.56 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one
PubChem CID54671782
Molecular FormulaC20H31NO4Si
Molecular Weight377.56 g/mol
Exact Mass377.20
IUPAC Name(4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)25-13-9-12-18(22)21-17(15-24-19(21)23)14-16-10-7-6-8-11-16/h6-8,10-11,17H,9,12-15H2,1-5H3/t17-/m0/s1
InChIKeyFNNZFAGGRZSAMM-KRWDZBQOSA-N
XLogP4.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one (CID 54671782) is (4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FNNZFAGGRZSAMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)25-13-9-12-18(22)21-17(15-24-19(21)23)14-16-10-7-6-8-11-16/h6-8,10-11,17H,9,12-15H2,1-5H3/t17-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 377.56 g/mol, XLogP of 4.38, 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-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54671782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).