methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate

C14H19NO4 — CID 11832325

IUPACmethyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
SMILESCCO[C@@H]1C[C@@H](C(=O)OC)N(Cc2ccccc2)O1
InChIInChI=1S/C14H19NO4/c1-3-18-13-9-12(14(16)17-2)15(19-13)10-11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyGYXASRREDSNYIW-STQMWFEESA-N
MW265.31 g/mol
LogP1.73
Rot. Bonds5

About methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate

methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate (PubChem CID 11832325) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
PubChem CID11832325
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
SMILESCCO[C@@H]1C[C@@H](C(=O)OC)N(Cc2ccccc2)O1
InChIInChI=1S/C14H19NO4/c1-3-18-13-9-12(14(16)17-2)15(19-13)10-11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyGYXASRREDSNYIW-STQMWFEESA-N
XLogP1.73
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 134899183
Ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 129749440
ethyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10660312
ethyl (3S,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
CID 10660313
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)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-one
CID 10901884
ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
CID 10912885
[(3R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 10958212
methyl (3R)-3-[benzyl(hydroxy)amino]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11130667
[(3S,5S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 11370661
[(3R,5S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 11404453

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate?
The IUPAC name of methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate (CID 11832325) is methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate is CCO[C@@H]1C[C@@H](C(=O)OC)N(Cc2ccccc2)O1.
What is the InChIKey of methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate?
The InChIKey is GYXASRREDSNYIW-STQMWFEESA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-18-13-9-12(14(16)17-2)15(19-13)10-11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate?
methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 11832325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).