(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one

C24H37NO4Si — CID 59254763

IUPAC(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one
SMILESC=C(CO)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C24H37NO4Si/c1-18(16-26)21-24(20-13-10-14-20,17-28-30(5,6)23(2,3)4)25(22(27)29-21)15-19-11-8-7-9-12-19/h7-9,11-12,20-21,26H,1,10,13-17H2,2-6H3/t21-,24-/m1/s1
InChIKeySPDBGLMPOQNABR-ZJSXRUAMSA-N
MW431.65 g/mol
LogP5.12
Rot. Bonds8

About (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one

(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one (PubChem CID 59254763) has the molecular formula C24H37NO4Si and a molecular weight of 431.65 g/mol. Its IUPAC name is (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one
PubChem CID59254763
Molecular FormulaC24H37NO4Si
Molecular Weight431.65 g/mol
Exact Mass431.25
IUPAC Name(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one
SMILESC=C(CO)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C24H37NO4Si/c1-18(16-26)21-24(20-13-10-14-20,17-28-30(5,6)23(2,3)4)25(22(27)29-21)15-19-11-8-7-9-12-19/h7-9,11-12,20-21,26H,1,10,13-17H2,2-6H3/t21-,24-/m1/s1
InChIKeySPDBGLMPOQNABR-ZJSXRUAMSA-N
XLogP5.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.65
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3-benzyl-4-[(1S)-1-hydroxy-2-[(2R,4S,6S)-6-methoxy-6-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 11092579
(4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one
CID 11303317
(4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one
CID 11372223
(4S,5R)-3-benzyl-4-cyclobutyl-5-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 135031771
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-phenylmethoxyprop-1-en-2-yl)-1,3-oxazolidin-2-one
CID 135032062
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-1,3-oxazolidin-2-one
CID 135032063
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-methoxyprop-1-en-2-yl)-1,3-oxazolidin-2-one
CID 135032111
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-1,3-oxazolidin-2-one
CID 135032112
(4S,5R)-3-benzyl-4-cyclobutyl-5-[(2S)-1-hydroxy-3-methoxypropan-2-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 135032390
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-(hydroxymethyl)phenyl]pyrrolidine-1-carboxylate
CID 57167756
(4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one
CID 59254797
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-prop-1-en-2-yl-1,3-oxazolidin-2-one
CID 59254821

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one (CID 59254763) is (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one is C=C(CO)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO[Si](C)(C)C(C)(C)C)C1CCC1.
What is the InChIKey of (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is SPDBGLMPOQNABR-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H37NO4Si/c1-18(16-26)21-24(20-13-10-14-20,17-28-30(5,6)23(2,3)4)25(22(27)29-21)15-19-11-8-7-9-12-19/h7-9,11-12,20-21,26H,1,10,13-17H2,2-6H3/t21-,24-/m1/s1.
What are the key properties of (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one?
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 431.65 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59254763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).