ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate

C14H16BrNO4 — CID 10807210

IUPACethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate
SMILESCCOC(=O)C(C)N1C(=O)COC1c1ccccc1Br
InChIInChI=1S/C14H16BrNO4/c1-3-19-14(18)9(2)16-12(17)8-20-13(16)10-6-4-5-7-11(10)15/h4-7,9,13H,3,8H2,1-2H3
InChIKeyIIUYILVNAZNEAB-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.26
Rot. Bonds4

About ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate

ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate (PubChem CID 10807210) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate
PubChem CID10807210
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Nameethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate
SMILESCCOC(=O)C(C)N1C(=O)COC1c1ccccc1Br
InChIInChI=1S/C14H16BrNO4/c1-3-19-14(18)9(2)16-12(17)8-20-13(16)10-6-4-5-7-11(10)15/h4-7,9,13H,3,8H2,1-2H3
InChIKeyIIUYILVNAZNEAB-UHFFFAOYSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate?
The IUPAC name of ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate (CID 10807210) is ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate.
What is the SMILES notation for ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate?
The canonical SMILES for ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate is CCOC(=O)C(C)N1C(=O)COC1c1ccccc1Br.
What is the InChIKey of ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate?
The InChIKey is IIUYILVNAZNEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-3-19-14(18)9(2)16-12(17)8-20-13(16)10-6-4-5-7-11(10)15/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate?
ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate has a molecular weight of 342.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-bromophenyl)-4-oxo-1,3-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 10807210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).