2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole

C23H16F5NO2 — CID 19424110

IUPAC2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CO1
InChIInChI=1S/C23H16F5NO2/c24-19-2-1-3-20(25)21(19)22-29-17(13-31-22)12-30-18-10-6-15(7-11-18)14-4-8-16(9-5-14)23(26,27)28/h1-11,17H,12-13H2
InChIKeyQYVILMPVDRFQRR-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.88
Rot. Bonds5

About 2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 19424110) has the molecular formula C23H16F5NO2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID19424110
Molecular FormulaC23H16F5NO2
Molecular Weight433.38 g/mol
Exact Mass433.11
IUPAC Name2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CO1
InChIInChI=1S/C23H16F5NO2/c24-19-2-1-3-20(25)21(19)22-29-17(13-31-22)12-30-18-10-6-15(7-11-18)14-4-8-16(9-5-14)23(26,27)28/h1-11,17H,12-13H2
InChIKeyQYVILMPVDRFQRR-UHFFFAOYSA-N
XLogP5.88
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-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-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole (CID 19424110) is 2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is QYVILMPVDRFQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5NO2/c24-19-2-1-3-20(25)21(19)22-29-17(13-31-22)12-30-18-10-6-15(7-11-18)14-4-8-16(9-5-14)23(26,27)28/h1-11,17H,12-13H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 433.38 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19424110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).