ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate

C14H16N2O4 — CID 11737461

IUPACethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate
SMILESCCOC(=O)/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H16N2O4/c1-2-19-13(17)9-15-16-12(10-20-14(16)18)8-11-6-4-3-5-7-11/h3-7,9,12H,2,8,10H2,1H3/b15-9+/t12-/m0/s1
InChIKeyDBVUDGQUFOLUFA-DGGAMASNSA-N
MW276.29 g/mol
LogP1.60
Rot. Bonds5

About ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate

ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate (PubChem CID 11737461) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate
PubChem CID11737461
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate
SMILESCCOC(=O)/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H16N2O4/c1-2-19-13(17)9-15-16-12(10-20-14(16)18)8-11-6-4-3-5-7-11/h3-7,9,12H,2,8,10H2,1H3/b15-9+/t12-/m0/s1
InChIKeyDBVUDGQUFOLUFA-DGGAMASNSA-N
XLogP1.60
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate?
The IUPAC name of ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate (CID 11737461) is ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate.
What is the SMILES notation for ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate?
The canonical SMILES for ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate is CCOC(=O)/C=N/N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate?
The InChIKey is DBVUDGQUFOLUFA-DGGAMASNSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-19-13(17)9-15-16-12(10-20-14(16)18)8-11-6-4-3-5-7-11/h3-7,9,12H,2,8,10H2,1H3/b15-9+/t12-/m0/s1.
What are the key properties of ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate?
ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate has a molecular weight of 276.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]imino]acetate is sourced from PubChem (CID 11737461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).