5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C12H12F3NO3 — CID 15158309

IUPAC5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCO)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)8-2-1-3-9(6-8)16-7-10(4-5-17)19-11(16)18/h1-3,6,10,17H,4-5,7H2
InChIKeyBCPGIHJGFUNGOZ-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.41
Rot. Bonds3

About 5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 15158309) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID15158309
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCO)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)8-2-1-3-9(6-8)16-7-10(4-5-17)19-11(16)18/h1-3,6,10,17H,4-5,7H2
InChIKeyBCPGIHJGFUNGOZ-UHFFFAOYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 15158309) is 5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1OC(CCO)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is BCPGIHJGFUNGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c13-12(14,15)8-2-1-3-9(6-8)16-7-10(4-5-17)19-11(16)18/h1-3,6,10,17H,4-5,7H2.
What are the key properties of 5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 275.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15158309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).