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

C25H39NO3Si — CID 59254797

IUPAC(4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one
SMILESC=C(CC)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C25H39NO3Si/c1-8-19(2)22-25(21-15-12-16-21,18-28-30(6,7)24(3,4)5)26(23(27)29-22)17-20-13-10-9-11-14-20/h9-11,13-14,21-22H,2,8,12,15-18H2,1,3-7H3/t22-,25-/m1/s1
InChIKeyNEAWPAHBQXOWLE-RCZVLFRGSA-N
MW429.68 g/mol
LogP6.53
Rot. Bonds8

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

(4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one (PubChem CID 59254797) has the molecular formula C25H39NO3Si and a molecular weight of 429.68 g/mol. Its IUPAC name is (4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one
PubChem CID59254797
Molecular FormulaC25H39NO3Si
Molecular Weight429.68 g/mol
Exact Mass429.27
IUPAC Name(4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one
SMILESC=C(CC)[C@H]1OC(=O)N(Cc2ccccc2)[C@]1(CO[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C25H39NO3Si/c1-8-19(2)22-25(21-15-12-16-21,18-28-30(6,7)24(3,4)5)26(23(27)29-22)17-20-13-10-9-11-14-20/h9-11,13-14,21-22H,2,8,12,15-18H2,1,3-7H3/t22-,25-/m1/s1
InChIKeyNEAWPAHBQXOWLE-RCZVLFRGSA-N
XLogP6.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(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)-tert-butyl 4-(tert-butyldimethylsilyloxy)-2-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 66684243
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 66689020
tert-butyl (2S,3S,5R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate
CID 10885794
(4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10991179
(4S)-4-phenyl-3-[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]-1,3-oxazolidin-2-one
CID 101181627
(4R,5S)-4,5-diphenyl-3-[(1S)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one
CID 101262926
(4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one
CID 134832330
methyl N-benzyl-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropan-2-yl]carbamate
CID 135031843
(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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one?
The IUPAC name of (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) is (4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one is C=C(CC)[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-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one?
The InChIKey is NEAWPAHBQXOWLE-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H39NO3Si/c1-8-19(2)22-25(21-15-12-16-21,18-28-30(6,7)24(3,4)5)26(23(27)29-22)17-20-13-10-9-11-14-20/h9-11,13-14,21-22H,2,8,12,15-18H2,1,3-7H3/t22-,25-/m1/s1.
What are the key properties of (4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one?
(4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one has a molecular weight of 429.68 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-benzyl-5-but-1-en-2-yl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59254797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).