(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

C25H41NO5Si — CID 135032063

IUPAC(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
SMILESCOC[C@@H](CO)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C25H41NO5Si/c1-24(2,3)32(5,6)30-18-25(21-13-10-14-21)22(20(16-27)17-29-4)31-23(28)26(25)15-19-11-8-7-9-12-19/h7-9,11-12,20-22,27H,10,13-18H2,1-6H3/t20-,22-,25-/m1/s1
InChIKeyQXPGYWIWGIGQMC-QFZWGZQFSA-N
MW463.69 g/mol
LogP4.82
Rot. Bonds10

About (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

(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 (PubChem CID 135032063) has the molecular formula C25H41NO5Si and a molecular weight of 463.69 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135032063
Molecular FormulaC25H41NO5Si
Molecular Weight463.69 g/mol
Exact Mass463.28
IUPAC Name(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
SMILESCOC[C@@H](CO)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C25H41NO5Si/c1-24(2,3)32(5,6)30-18-25(21-13-10-14-21)22(20(16-27)17-29-4)31-23(28)26(25)15-19-11-8-7-9-12-19/h7-9,11-12,20-22,27H,10,13-18H2,1-6H3/t20-,22-,25-/m1/s1
InChIKeyQXPGYWIWGIGQMC-QFZWGZQFSA-N
XLogP4.82
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.69
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
(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)-4-benzyl-3-[(2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-hydroxybut-3-enyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 16215756
(4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 101386968
(4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 101386969
(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-(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
tert-butyl (2S)-2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 54114153
tert-butyl (2S,4R)-2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 57121560

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC[C@@H](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-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is QXPGYWIWGIGQMC-QFZWGZQFSA-N. The full InChI is InChI=1S/C25H41NO5Si/c1-24(2,3)32(5,6)30-18-25(21-13-10-14-21)22(20(16-27)17-29-4)31-23(28)26(25)15-19-11-8-7-9-12-19/h7-9,11-12,20-22,27H,10,13-18H2,1-6H3/t20-,22-,25-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 463.69 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 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-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135032063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).