3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one

C12H14FNO3 — CID 115064779

IUPAC3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCO)CN(c2cccc(F)c2)C(=O)O1
InChIInChI=1S/C12H14FNO3/c1-12(5-6-15)8-14(11(16)17-12)10-4-2-3-9(13)7-10/h2-4,7,15H,5-6,8H2,1H3
InChIKeyVAJBYMRUIFYZQS-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.92
Rot. Bonds3

About 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one

3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 115064779) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID115064779
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCO)CN(c2cccc(F)c2)C(=O)O1
InChIInChI=1S/C12H14FNO3/c1-12(5-6-15)8-14(11(16)17-12)10-4-2-3-9(13)7-10/h2-4,7,15H,5-6,8H2,1H3
InChIKeyVAJBYMRUIFYZQS-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one (CID 115064779) is 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one is CC1(CCO)CN(c2cccc(F)c2)C(=O)O1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is VAJBYMRUIFYZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-12(5-6-15)8-14(11(16)17-12)10-4-2-3-9(13)7-10/h2-4,7,15H,5-6,8H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 239.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).