5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one

C15H17ClFNO5 — CID 166708754

IUPAC5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCCOc1c(C2(C)OCCO2)cc(Cl)c(F)c1C1CNC(=O)O1
InChIInChI=1S/C15H17ClFNO5/c1-3-20-13-8(15(2)21-4-5-22-15)6-9(16)12(17)11(13)10-7-18-14(19)23-10/h6,10H,3-5,7H2,1-2H3,(H,18,19)
InChIKeyLIKSGNLTICYYDM-UHFFFAOYSA-N
MW345.75 g/mol
LogP2.88
Rot. Bonds4

About 5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one

5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 166708754) has the molecular formula C15H17ClFNO5 and a molecular weight of 345.75 g/mol. Its IUPAC name is 5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID166708754
Molecular FormulaC15H17ClFNO5
Molecular Weight345.75 g/mol
Exact Mass345.08
IUPAC Name5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCCOc1c(C2(C)OCCO2)cc(Cl)c(F)c1C1CNC(=O)O1
InChIInChI=1S/C15H17ClFNO5/c1-3-20-13-8(15(2)21-4-5-22-15)6-9(16)12(17)11(13)10-7-18-14(19)23-10/h6,10H,3-5,7H2,1-2H3,(H,18,19)
InChIKeyLIKSGNLTICYYDM-UHFFFAOYSA-N
XLogP2.88
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one (CID 166708754) is 5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one is CCOc1c(C2(C)OCCO2)cc(Cl)c(F)c1C1CNC(=O)O1.
What is the InChIKey of 5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is LIKSGNLTICYYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO5/c1-3-20-13-8(15(2)21-4-5-22-15)6-9(16)12(17)11(13)10-7-18-14(19)23-10/h6,10H,3-5,7H2,1-2H3,(H,18,19).
What are the key properties of 5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one?
5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 345.75 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-ethoxy-6-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166708754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).