(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one

C22H27NO3Si — CID 134950136

IUPAC(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1OC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H27NO3Si/c1-5-20-19(23-21(24)26-20)16-25-27(22(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h5-15,19-20H,1,16H2,2-4H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyOFRZMACLIDFPGX-WOJBJXKFSA-N
MW381.55 g/mol
LogP3.23
Rot. Bonds6

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

(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one (PubChem CID 134950136) has the molecular formula C22H27NO3Si and a molecular weight of 381.55 g/mol. Its IUPAC name is (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
PubChem CID134950136
Molecular FormulaC22H27NO3Si
Molecular Weight381.55 g/mol
Exact Mass381.18
IUPAC Name(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1OC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H27NO3Si/c1-5-20-19(23-21(24)26-20)16-25-27(22(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h5-15,19-20H,1,16H2,2-4H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyOFRZMACLIDFPGX-WOJBJXKFSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
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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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-3-methylbutan-2-yl]carbamate
CID 12111347
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(4R,5R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-5-ethyl-1,3-oxazolidin-2-one
CID 11281400
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxydodeca-4,10-diyn-2-yl]carbamate
CID 11353085
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
(4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one
CID 15391415
tert-butyl N-[(2S)-6-amino-1-[tert-butyl(diphenyl)silyl]oxyhexan-2-yl]carbamate
CID 101750563
tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]carbamate
CID 101777677
tert-butyl N-[(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450325
tert-butyl N-[(3R,4S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450326

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one (CID 134950136) is (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one is C=C[C@H]1OC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is OFRZMACLIDFPGX-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H27NO3Si/c1-5-20-19(23-21(24)26-20)16-25-27(22(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h5-15,19-20H,1,16H2,2-4H3,(H,23,24)/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one?
(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 381.55 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134950136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).