3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole

C17H12F3NO2 — CID 1480816

IUPAC3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(OCc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)13-7-4-8-14(9-13)22-11-15-10-16(21-23-15)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeySUBRJHDTZWZBHD-UHFFFAOYSA-N
MW319.28 g/mol
LogP4.94
Rot. Bonds4

About 3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole

3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole (PubChem CID 1480816) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
PubChem CID1480816
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(OCc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)13-7-4-8-14(9-13)22-11-15-10-16(21-23-15)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeySUBRJHDTZWZBHD-UHFFFAOYSA-N
XLogP4.94
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole (CID 1480816) is 3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole is FC(F)(F)c1cccc(OCc2cc(-c3ccccc3)no2)c1.
What is the InChIKey of 3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
The InChIKey is SUBRJHDTZWZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c18-17(19,20)13-7-4-8-14(9-13)22-11-15-10-16(21-23-15)12-5-2-1-3-6-12/h1-10H,11H2.
What are the key properties of 3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole has a molecular weight of 319.28 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole is sourced from PubChem (CID 1480816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).