2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole

C22H14F6N2O3 — CID 158241679

IUPAC2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1nc(COCc2coc(-c3ccccc3C(F)(F)F)n2)co1
InChIInChI=1S/C22H14F6N2O3/c23-21(24,25)17-7-3-1-5-15(17)19-29-13(11-32-19)9-31-10-14-12-33-20(30-14)16-6-2-4-8-18(16)22(26,27)28/h1-8,11-12H,9-10H2
InChIKeyGFPPJLXMXSGIBX-UHFFFAOYSA-N
MW468.35 g/mol
LogP6.75
Rot. Bonds6

About 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole

2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole (PubChem CID 158241679) has the molecular formula C22H14F6N2O3 and a molecular weight of 468.35 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole
PubChem CID158241679
Molecular FormulaC22H14F6N2O3
Molecular Weight468.35 g/mol
Exact Mass468.09
IUPAC Name2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1nc(COCc2coc(-c3ccccc3C(F)(F)F)n2)co1
InChIInChI=1S/C22H14F6N2O3/c23-21(24,25)17-7-3-1-5-15(17)19-29-13(11-32-19)9-31-10-14-12-33-20(30-14)16-6-2-4-8-18(16)22(26,27)28/h1-8,11-12H,9-10H2
InChIKeyGFPPJLXMXSGIBX-UHFFFAOYSA-N
XLogP6.75
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.35
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole 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 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole (CID 158241679) is 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole is FC(F)(F)c1ccccc1-c1nc(COCc2coc(-c3ccccc3C(F)(F)F)n2)co1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole?
The InChIKey is GFPPJLXMXSGIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N2O3/c23-21(24,25)17-7-3-1-5-15(17)19-29-13(11-32-19)9-31-10-14-12-33-20(30-14)16-6-2-4-8-18(16)22(26,27)28/h1-8,11-12H,9-10H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole?
2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole has a molecular weight of 468.35 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole is sourced from PubChem (CID 158241679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).