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

C17H14F3NO3 — CID 46887418

IUPAC3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccc(C(F)(F)F)cc2)CN1c1ccccc1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)12-6-8-14(9-7-12)23-11-15-10-21(16(22)24-15)13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKeyBIZBKGBTDMATHV-UHFFFAOYSA-N
MW337.30 g/mol
LogP4.11
Rot. Bonds4

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

3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 46887418) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID46887418
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccc(C(F)(F)F)cc2)CN1c1ccccc1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)12-6-8-14(9-7-12)23-11-15-10-21(16(22)24-15)13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKeyBIZBKGBTDMATHV-UHFFFAOYSA-N
XLogP4.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one (CID 46887418) is 3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is O=C1OC(COc2ccc(C(F)(F)F)cc2)CN1c1ccccc1.
What is the InChIKey of 3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is BIZBKGBTDMATHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3/c18-17(19,20)12-6-8-14(9-7-12)23-11-15-10-21(16(22)24-15)13-4-2-1-3-5-13/h1-9,15H,10-11H2.
What are the key properties of 3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one?
3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 337.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46887418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).