diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate

C16H21NO5 — CID 59842032

IUPACdiethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate
SMILESCCOC(=O)[C@H]1ON(Cc2ccccc2)C[C@H]1C(=O)OCC
InChIInChI=1S/C16H21NO5/c1-3-20-15(18)13-11-17(10-12-8-6-5-7-9-12)22-14(13)16(19)21-4-2/h5-9,13-14H,3-4,10-11H2,1-2H3/t13-,14+/m1/s1
InChIKeySIHUMCCKQLUUFN-KGLIPLIRSA-N
MW307.35 g/mol
LogP1.54
Rot. Bonds6

About diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate

diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate (PubChem CID 59842032) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate
PubChem CID59842032
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namediethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate
SMILESCCOC(=O)[C@H]1ON(Cc2ccccc2)C[C@H]1C(=O)OCC
InChIInChI=1S/C16H21NO5/c1-3-20-15(18)13-11-17(10-12-8-6-5-7-9-12)22-14(13)16(19)21-4-2/h5-9,13-14H,3-4,10-11H2,1-2H3/t13-,14+/m1/s1
InChIKeySIHUMCCKQLUUFN-KGLIPLIRSA-N
XLogP1.54
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate?
The IUPAC name of diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate (CID 59842032) is diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate.
What is the SMILES notation for diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate?
The canonical SMILES for diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate is CCOC(=O)[C@H]1ON(Cc2ccccc2)C[C@H]1C(=O)OCC.
What is the InChIKey of diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate?
The InChIKey is SIHUMCCKQLUUFN-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H21NO5/c1-3-20-15(18)13-11-17(10-12-8-6-5-7-9-12)22-14(13)16(19)21-4-2/h5-9,13-14H,3-4,10-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate?
diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4R,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate is sourced from PubChem (CID 59842032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).