[(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate

C19H31NO4Si — CID 134878951

IUPAC[(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)OC1C[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)O1
InChIInChI=1S/C19H31NO4Si/c1-15(21)23-18-12-17(14-22-25(5,6)19(2,3)4)20(24-18)13-16-10-8-7-9-11-16/h7-11,17-18H,12-14H2,1-6H3/t17-,18?/m1/s1
InChIKeyUNSFOGGOUAQGLY-QNSVNVJESA-N
MW365.55 g/mol
LogP4.10
Rot. Bonds6

About [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate

[(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate (PubChem CID 134878951) has the molecular formula C19H31NO4Si and a molecular weight of 365.55 g/mol. Its IUPAC name is [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate.

Molecular Properties

Compound Name[(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate
PubChem CID134878951
Molecular FormulaC19H31NO4Si
Molecular Weight365.55 g/mol
Exact Mass365.20
IUPAC Name[(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)OC1C[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)O1
InChIInChI=1S/C19H31NO4Si/c1-15(21)23-18-12-17(14-22-25(5,6)19(2,3)4)20(24-18)13-16-10-8-7-9-11-16/h7-11,17-18H,12-14H2,1-6H3/t17-,18?/m1/s1
InChIKeyUNSFOGGOUAQGLY-QNSVNVJESA-N
XLogP4.10
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[(3R,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 15685050
(1R)-N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine
CID 44556522
(1S)-N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine
CID 102165175
carbon monoxide;chromium;[2-[(3S,5R)-5-ethoxy-2-methyl-1,2-oxazolidin-3-yl]phenyl]-trimethylsilane
CID 134899199
[(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924653
[(3R,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 10427920
ethyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10660312
tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10733533
ethyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10779047
[(3R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 10958212
[(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 11142256
[(3S,5S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 11370661

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate?
The IUPAC name of [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate (CID 134878951) is [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate.
What is the SMILES notation for [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate?
The canonical SMILES for [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate is CC(=O)OC1C[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)O1.
What is the InChIKey of [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate?
The InChIKey is UNSFOGGOUAQGLY-QNSVNVJESA-N. The full InChI is InChI=1S/C19H31NO4Si/c1-15(21)23-18-12-17(14-22-25(5,6)19(2,3)4)20(24-18)13-16-10-8-7-9-11-16/h7-11,17-18H,12-14H2,1-6H3/t17-,18?/m1/s1.
What are the key properties of [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate?
[(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate has a molecular weight of 365.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate is sourced from PubChem (CID 134878951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).