(4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one

C22H21NO2Si — CID 15391415

IUPAC(4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C22H21NO2Si/c24-22-23-18(16-25-22)17-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,23,24)/t18-/m0/s1
InChIKeyMCSSHPHEYLQQAO-SFHVURJKSA-N
MW359.50 g/mol
LogP2.27
Rot. Bonds5

About (4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one

(4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one (PubChem CID 15391415) has the molecular formula C22H21NO2Si and a molecular weight of 359.50 g/mol. Its IUPAC name is (4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one
PubChem CID15391415
Molecular FormulaC22H21NO2Si
Molecular Weight359.50 g/mol
Exact Mass359.13
IUPAC Name(4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C22H21NO2Si/c24-22-23-18(16-25-22)17-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,23,24)/t18-/m0/s1
InChIKeyMCSSHPHEYLQQAO-SFHVURJKSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one (CID 15391415) is (4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one is O=C1N[C@H](C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CO1.
What is the InChIKey of (4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is MCSSHPHEYLQQAO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21NO2Si/c24-22-23-18(16-25-22)17-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,23,24)/t18-/m0/s1.
What are the key properties of (4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one?
(4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 359.50 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15391415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).