benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate

C20H31NO5Si — CID 10786763

IUPACbenzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate
SMILESCC[Si](CC)(CC)OCCC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO5Si/c1-4-27(5-2,6-3)26-14-10-13-18-19(22)25-16-21(18)20(23)24-15-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16H2,1-3H3/t18-/m0/s1
InChIKeySOAHEOPJPOXFTA-SFHVURJKSA-N
MW393.56 g/mol
LogP4.31
Rot. Bonds10

About benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate

benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 10786763) has the molecular formula C20H31NO5Si and a molecular weight of 393.56 g/mol. Its IUPAC name is benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate
PubChem CID10786763
Molecular FormulaC20H31NO5Si
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC Namebenzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate
SMILESCC[Si](CC)(CC)OCCC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO5Si/c1-4-27(5-2,6-3)26-14-10-13-18-19(22)25-16-21(18)20(23)24-15-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16H2,1-3H3/t18-/m0/s1
InChIKeySOAHEOPJPOXFTA-SFHVURJKSA-N
XLogP4.31
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate (CID 10786763) is benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate is CC[Si](CC)(CC)OCCC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is SOAHEOPJPOXFTA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31NO5Si/c1-4-27(5-2,6-3)26-14-10-13-18-19(22)25-16-21(18)20(23)24-15-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16H2,1-3H3/t18-/m0/s1.
What are the key properties of benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 393.56 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-5-oxo-4-(3-triethylsilyloxypropyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10786763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).