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

C27H31NO4Si — CID 142794272

IUPAC3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2CN(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)O2)cc1
InChIInChI=1S/C27H31NO4Si/c1-27(2,3)33(23-11-7-5-8-12-23,24-13-9-6-10-14-24)31-20-28-19-25(32-26(28)29)21-15-17-22(30-4)18-16-21/h5-18,25H,19-20H2,1-4H3
InChIKeyUOELCYAWPQRNHI-UHFFFAOYSA-N
MW461.63 g/mol
LogP4.72
Rot. Bonds7

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

3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 142794272) has the molecular formula C27H31NO4Si and a molecular weight of 461.63 g/mol. Its IUPAC name is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID142794272
Molecular FormulaC27H31NO4Si
Molecular Weight461.63 g/mol
Exact Mass461.20
IUPAC Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2CN(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)O2)cc1
InChIInChI=1S/C27H31NO4Si/c1-27(2,3)33(23-11-7-5-8-12-23,24-13-9-6-10-14-24)31-20-28-19-25(32-26(28)29)21-15-17-22(30-4)18-16-21/h5-18,25H,19-20H2,1-4H3
InChIKeyUOELCYAWPQRNHI-UHFFFAOYSA-N
XLogP4.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4aR,6S,9Z,10aS)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(4-methoxyphenyl)-4,4a,8,10a-tetrahydro-[1,3]dioxino[5,4-b]oxocin-7-one
CID 52937203
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate
CID 101231596
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254557
(3S,4R)-3-amino-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 57089287
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
[(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate
CID 71513915
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
(2R,5S,6R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-[(4-methoxyphenyl)methoxy]-5-methyl-2,5,6,7-tetrahydrooxocin-8-one
CID 177428846
(3aS,6S,6aR)-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]ethyl]-3a-methyl-2-phenyl-6,6a-dihydrofuro[3,4-d][1,3]oxazol-4-one
CID 102377727
(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 15262819
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
[(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(4-methoxyphenyl)methyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate
CID 10580365

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 142794272) is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(C2CN(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)O2)cc1.
What is the InChIKey of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is UOELCYAWPQRNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4Si/c1-27(2,3)33(23-11-7-5-8-12-23,24-13-9-6-10-14-24)31-20-28-19-25(32-26(28)29)21-15-17-22(30-4)18-16-21/h5-18,25H,19-20H2,1-4H3.
What are the key properties of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 461.63 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142794272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).