(4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C32H45NO5Si — CID 16736204

IUPAC(4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)[C@H](C)C[C@@]1(C)CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C32H45NO5Si/c1-23(2)28-22-36-30(35)33(28)29(34)24(3)20-32(7)19-18-25(38-32)21-37-39(31(4,5)6,26-14-10-8-11-15-26)27-16-12-9-13-17-27/h8-17,23-25,28H,18-22H2,1-7H3/t24-,25-,28+,32-/m1/s1
InChIKeyQPGRUILNASUFJM-IEUGTEEQSA-N
MW551.80 g/mol
LogP5.53
Rot. Bonds9

About (4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 16736204) has the molecular formula C32H45NO5Si and a molecular weight of 551.80 g/mol. Its IUPAC name is (4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID16736204
Molecular FormulaC32H45NO5Si
Molecular Weight551.80 g/mol
Exact Mass551.31
IUPAC Name(4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1C(=O)[C@H](C)C[C@@]1(C)CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C32H45NO5Si/c1-23(2)28-22-36-30(35)33(28)29(34)24(3)20-32(7)19-18-25(38-32)21-37-39(31(4,5)6,26-14-10-8-11-15-26)27-16-12-9-13-17-27/h8-17,23-25,28H,18-22H2,1-7H3/t24-,25-,28+,32-/m1/s1
InChIKeyQPGRUILNASUFJM-IEUGTEEQSA-N
XLogP5.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.80
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
(4S)-3-[(2R,3R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethyl-5-trimethylsilylpent-4-ynoyl]-4-propan-2-yl-1,3-oxazolidin-2-one;carbon monoxide;cobalt
CID 10876666
(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
(4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101174120
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22298317
tert-butyl (3R)-3-benzyl-4-oxo-4-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate
CID 14213076
(4S)-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101174119
tert-butyl 4-methyl-2-[(2R)-1-oxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-phenylpropan-2-yl]pentanoate
CID 102516317
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylic acid
CID 22169739
(4S)-3-[(2R,3S)-2-methyl-3-phenyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 24746063

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 16736204) is (4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1COC(=O)N1C(=O)[C@H](C)C[C@@]1(C)CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QPGRUILNASUFJM-IEUGTEEQSA-N. The full InChI is InChI=1S/C32H45NO5Si/c1-23(2)28-22-36-30(35)33(28)29(34)24(3)20-32(7)19-18-25(38-32)21-37-39(31(4,5)6,26-14-10-8-11-15-26)27-16-12-9-13-17-27/h8-17,23-25,28H,18-22H2,1-7H3/t24-,25-,28+,32-/m1/s1.
What are the key properties of (4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 551.80 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-3-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 16736204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).