methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate

C22H37NO4Si — CID 14796044

IUPACmethyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C)ON(Cc2ccccc2)C1C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37NO4Si/c1-16(15-26-28(7,8)22(3,4)5)20-19(21(24)25-6)17(2)27-23(20)14-18-12-10-9-11-13-18/h9-13,16-17,19-20H,14-15H2,1-8H3
InChIKeyOUVDZCKWIZPIBL-UHFFFAOYSA-N
MW407.63 g/mol
LogP4.64
Rot. Bonds7

About methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate

methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate (PubChem CID 14796044) has the molecular formula C22H37NO4Si and a molecular weight of 407.63 g/mol. Its IUPAC name is methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate
PubChem CID14796044
Molecular FormulaC22H37NO4Si
Molecular Weight407.63 g/mol
Exact Mass407.25
IUPAC Namemethyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C)ON(Cc2ccccc2)C1C(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H37NO4Si/c1-16(15-26-28(7,8)22(3,4)5)20-19(21(24)25-6)17(2)27-23(20)14-18-12-10-9-11-13-18/h9-13,16-17,19-20H,14-15H2,1-8H3
InChIKeyOUVDZCKWIZPIBL-UHFFFAOYSA-N
XLogP4.64
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.63
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate (CID 14796044) is methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate is COC(=O)C1C(C)ON(Cc2ccccc2)C1C(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate?
The InChIKey is OUVDZCKWIZPIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO4Si/c1-16(15-26-28(7,8)22(3,4)5)20-19(21(24)25-6)17(2)27-23(20)14-18-12-10-9-11-13-18/h9-13,16-17,19-20H,14-15H2,1-8H3.
What are the key properties of methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate?
methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate has a molecular weight of 407.63 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 14796044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).