3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one

C13H12FNO5 — CID 143328156

IUPAC3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one
SMILESO=C(COCC(=O)N1CCOC1=O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO5/c14-10-3-1-9(2-4-10)11(16)7-19-8-12(17)15-5-6-20-13(15)18/h1-4H,5-8H2
InChIKeyITPGAHHXSUIBRM-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.00
Rot. Bonds5

About 3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one

3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one (PubChem CID 143328156) has the molecular formula C13H12FNO5 and a molecular weight of 281.24 g/mol. Its IUPAC name is 3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one
PubChem CID143328156
Molecular FormulaC13H12FNO5
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Name3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one
SMILESO=C(COCC(=O)N1CCOC1=O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO5/c14-10-3-1-9(2-4-10)11(16)7-19-8-12(17)15-5-6-20-13(15)18/h1-4H,5-8H2
InChIKeyITPGAHHXSUIBRM-UHFFFAOYSA-N
XLogP1.00
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one (CID 143328156) is 3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one is O=C(COCC(=O)N1CCOC1=O)c1ccc(F)cc1.
What is the InChIKey of 3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is ITPGAHHXSUIBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO5/c14-10-3-1-9(2-4-10)11(16)7-19-8-12(17)15-5-6-20-13(15)18/h1-4H,5-8H2.
What are the key properties of 3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one?
3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 281.24 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-fluorophenyl)-2-oxoethoxy]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143328156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).