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

C17H14F3NO4 — CID 59580218

IUPAC3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccc(OC(F)(F)F)cc2)CN1c1ccccc1
InChIInChI=1S/C17H14F3NO4/c18-17(19,20)25-14-8-6-13(7-9-14)23-11-15-10-21(16(22)24-15)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyDCKXMPBNYHIGKT-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.99
Rot. Bonds5

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

3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 59580218) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID59580218
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2ccc(OC(F)(F)F)cc2)CN1c1ccccc1
InChIInChI=1S/C17H14F3NO4/c18-17(19,20)25-14-8-6-13(7-9-14)23-11-15-10-21(16(22)24-15)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyDCKXMPBNYHIGKT-UHFFFAOYSA-N
XLogP3.99
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one (CID 59580218) is 3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one is O=C1OC(COc2ccc(OC(F)(F)F)cc2)CN1c1ccccc1.
What is the InChIKey of 3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is DCKXMPBNYHIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c18-17(19,20)25-14-8-6-13(7-9-14)23-11-15-10-21(16(22)24-15)12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one?
3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 353.30 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).