5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C18H16F3NO3 — CID 57024512

IUPAC5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CN(c3ccc(C(F)(F)F)cc3)C(=O)O2)cc1
InChIInChI=1S/C18H16F3NO3/c1-12-2-8-15(9-3-12)24-11-16-10-22(17(23)25-16)14-6-4-13(5-7-14)18(19,20)21/h2-9,16H,10-11H2,1H3
InChIKeyJLEOSWWYUFQQOW-UHFFFAOYSA-N
MW351.32 g/mol
LogP4.42
Rot. Bonds4

About 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 57024512) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID57024512
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(OCC2CN(c3ccc(C(F)(F)F)cc3)C(=O)O2)cc1
InChIInChI=1S/C18H16F3NO3/c1-12-2-8-15(9-3-12)24-11-16-10-22(17(23)25-16)14-6-4-13(5-7-14)18(19,20)21/h2-9,16H,10-11H2,1H3
InChIKeyJLEOSWWYUFQQOW-UHFFFAOYSA-N
XLogP4.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 57024512) is 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is Cc1ccc(OCC2CN(c3ccc(C(F)(F)F)cc3)C(=O)O2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is JLEOSWWYUFQQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3/c1-12-2-8-15(9-3-12)24-11-16-10-22(17(23)25-16)14-6-4-13(5-7-14)18(19,20)21/h2-9,16H,10-11H2,1H3.
What are the key properties of 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 351.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57024512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).