2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole

C17H14F3NO — CID 134938643

IUPAC2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)CC1OC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)11-14-15(12-7-3-1-4-8-12)21-16(22-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyDFIJVWPSYWGHNY-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.53
Rot. Bonds3

About 2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole

2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 134938643) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
PubChem CID134938643
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)CC1OC(c2ccccc2)=NC1c1ccccc1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)11-14-15(12-7-3-1-4-8-12)21-16(22-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyDFIJVWPSYWGHNY-UHFFFAOYSA-N
XLogP4.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
2-(2,6-Difluorophenyl)4-(4-bromophenyl)oxazoline
CID 11046011
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
4-(4-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853209

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole (CID 134938643) is 2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole is FC(F)(F)CC1OC(c2ccccc2)=NC1c1ccccc1.
What is the InChIKey of 2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is DFIJVWPSYWGHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)11-14-15(12-7-3-1-4-8-12)21-16(22-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2.
What are the key properties of 2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 305.30 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134938643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).