methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate

C22H27NO5Si — CID 18474917

IUPACmethyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(CO[Si](C)(C)C)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO5Si/c1-26-21(24)20-18(15-27-29(2,3)4)28-22(25)23(20)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18-20H,15H2,1-4H3
InChIKeyTXTFPRFJDMIUAE-UHFFFAOYSA-N
MW413.55 g/mol
LogP3.99
Rot. Bonds7

About methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate

methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 18474917) has the molecular formula C22H27NO5Si and a molecular weight of 413.55 g/mol. Its IUPAC name is methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate
PubChem CID18474917
Molecular FormulaC22H27NO5Si
Molecular Weight413.55 g/mol
Exact Mass413.17
IUPAC Namemethyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(CO[Si](C)(C)C)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO5Si/c1-26-21(24)20-18(15-27-29(2,3)4)28-22(25)23(20)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18-20H,15H2,1-4H3
InChIKeyTXTFPRFJDMIUAE-UHFFFAOYSA-N
XLogP3.99
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 53.99
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 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate (CID 18474917) is methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate is COC(=O)C1C(CO[Si](C)(C)C)OC(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is TXTFPRFJDMIUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5Si/c1-26-21(24)20-18(15-27-29(2,3)4)28-22(25)23(20)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18-20H,15H2,1-4H3.
What are the key properties of methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate?
methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 413.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzhydryl-2-oxo-5-(trimethylsilyloxymethyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).