(4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one

C25H41NO5Si — CID 134944815

IUPAC(4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1NC(=O)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCOCc1ccccc1)C(C)C
InChIInChI=1S/C25H41NO5Si/c1-9-20-21(30-24(27)26-20)15-22(31-32(7,8)25(4,5)6)23(18(2)3)29-17-28-16-19-13-11-10-12-14-19/h9-14,18,20-23H,1,15-17H2,2-8H3,(H,26,27)/t20-,21-,22-,23-/m0/s1
InChIKeyGHTHVENIWMXEHA-MLCQCVOFSA-N
MW463.69 g/mol
LogP5.65
Rot. Bonds12

About (4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one

(4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one (PubChem CID 134944815) has the molecular formula C25H41NO5Si and a molecular weight of 463.69 g/mol. Its IUPAC name is (4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one
PubChem CID134944815
Molecular FormulaC25H41NO5Si
Molecular Weight463.69 g/mol
Exact Mass463.28
IUPAC Name(4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1NC(=O)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCOCc1ccccc1)C(C)C
InChIInChI=1S/C25H41NO5Si/c1-9-20-21(30-24(27)26-20)15-22(31-32(7,8)25(4,5)6)23(18(2)3)29-17-28-16-19-13-11-10-12-14-19/h9-14,18,20-23H,1,15-17H2,2-8H3,(H,26,27)/t20-,21-,22-,23-/m0/s1
InChIKeyGHTHVENIWMXEHA-MLCQCVOFSA-N
XLogP5.65
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.69
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate
CID 58420082
2-trimethylsilylethyl N-[(2S,3R,5S)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate
CID 140886495
2-trimethylsilylethyl N-[(3R)-2-(3,4-difluorophenyl)-5-(2-methoxyethyl)oxolan-3-yl]carbamate
CID 145228693
tert-butyl N-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypentan-2-yl]carbamate
CID 11239171
benzyl N-[(4R,5S,6S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6-[(E)-prop-1-enyl]-1,3-dioxan-5-yl]carbamate
CID 60194958
benzyl N-[(E,2S,3S,4S)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-6-en-2-yl]carbamate
CID 134852256
benzyl N-[(E,2S,3S,4R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-6-en-2-yl]carbamate
CID 134852258
benzyl N-[(E,2S,3R,4S)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-6-en-2-yl]carbamate
CID 134852259
(4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 134941814
CbzNH(-2d)Hex3Ac4Ac6Ac-O-TBDMS
CID 135018750
CbzNH(-2d)Hex-O-TBDMS
CID 135018811
benzyl (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1S)-1-hydroxybut-3-enyl]-4-(methoxymethoxy)pyrrolidine-1-carboxylate
CID 146164262

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one (CID 134944815) is (4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one is C=C[C@@H]1NC(=O)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCOCc1ccccc1)C(C)C.
What is the InChIKey of (4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is GHTHVENIWMXEHA-MLCQCVOFSA-N. The full InChI is InChI=1S/C25H41NO5Si/c1-9-20-21(30-24(27)26-20)15-22(31-32(7,8)25(4,5)6)23(18(2)3)29-17-28-16-19-13-11-10-12-14-19/h9-14,18,20-23H,1,15-17H2,2-8H3,(H,26,27)/t20-,21-,22-,23-/m0/s1.
What are the key properties of (4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one?
(4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 463.69 g/mol, XLogP of 5.65, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134944815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).