(4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one

C29H37NO6Si — CID 11800198

IUPAC(4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C[C@H]1C(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37NO6Si/c1-19(36-37(5,6)29(2,3)4)26-22(17-24(31)35-26)27(32)30-23(18-34-28(30)33)25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-23,25-26H,17-18H2,1-6H3/t19-,22+,23-,26-/m0/s1
InChIKeyDHMSGKBBTGICFX-AOXNNKNRSA-N
MW523.70 g/mol
LogP5.51
Rot. Bonds7

About (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one

(4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 11800198) has the molecular formula C29H37NO6Si and a molecular weight of 523.70 g/mol. Its IUPAC name is (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID11800198
Molecular FormulaC29H37NO6Si
Molecular Weight523.70 g/mol
Exact Mass523.24
IUPAC Name(4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C[C@H]1C(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37NO6Si/c1-19(36-37(5,6)29(2,3)4)26-22(17-24(31)35-26)27(32)30-23(18-34-28(30)33)25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-23,25-26H,17-18H2,1-6H3/t19-,22+,23-,26-/m0/s1
InChIKeyDHMSGKBBTGICFX-AOXNNKNRSA-N
XLogP5.51
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.70
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-benzhydryl-3-[(2S,3S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one
CID 10530066
(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid
CID 10517488
methyl (3S,4S,5R)-3-[(4R)-4-benzhydryl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyhexanoate
CID 10626600
(4S)-3-[(2R,3S)-2-methyl-3-phenyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 24746063
(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 11760765
(4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one
CID 11291807
propan-2-yl (2R,3R)-3-[(4S)-4-benzhydryl-2-oxo-1,3-oxazolidine-3-carbonyl]-2-(4-methoxyphenyl)-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 11353434
(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 99772264
3-(1-benzyl-4-methylpyrrolidine-3-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22912432
(4R)-3-[(3S,4S)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22871830
tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate
CID 68815845
methyl (4S)-5-[(4R)-4-benzhydryl-2-oxo-1,3-oxazolidin-3-yl]-4-methyl-2-methylidene-5-oxopentanoate
CID 12007575

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one (CID 11800198) is (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C[C@H]1C(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is DHMSGKBBTGICFX-AOXNNKNRSA-N. The full InChI is InChI=1S/C29H37NO6Si/c1-19(36-37(5,6)29(2,3)4)26-22(17-24(31)35-26)27(32)30-23(18-34-28(30)33)25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-23,25-26H,17-18H2,1-6H3/t19-,22+,23-,26-/m0/s1.
What are the key properties of (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one?
(4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 523.70 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzhydryl-3-[(2R,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11800198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).