3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole

C17H10F7NO — CID 90810848

IUPAC3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
SMILESFc1ccc(C2=CC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C17H10F7NO/c18-13-6-4-10(5-7-13)14-9-15(26-25-14,17(22,23)24)11-2-1-3-12(8-11)16(19,20)21/h1-9,25H
InChIKeyZGFCNPXLXIVAFA-UHFFFAOYSA-N
MW377.26 g/mol
LogP5.18
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole

3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole (PubChem CID 90810848) has the molecular formula C17H10F7NO and a molecular weight of 377.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
PubChem CID90810848
Molecular FormulaC17H10F7NO
Molecular Weight377.26 g/mol
Exact Mass377.07
IUPAC Name3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
SMILESFc1ccc(C2=CC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C17H10F7NO/c18-13-6-4-10(5-7-13)14-9-15(26-25-14,17(22,23)24)11-2-1-3-12(8-11)16(19,20)21/h1-9,25H
InChIKeyZGFCNPXLXIVAFA-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.26
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole (CID 90810848) is 3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole is Fc1ccc(C2=CC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)ON2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
The InChIKey is ZGFCNPXLXIVAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F7NO/c18-13-6-4-10(5-7-13)14-9-15(26-25-14,17(22,23)24)11-2-1-3-12(8-11)16(19,20)21/h1-9,25H.
What are the key properties of 3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole?
3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole has a molecular weight of 377.26 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole is sourced from PubChem (CID 90810848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).