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

C16H10F5NO — CID 14853251

IUPAC2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C16H10F5NO/c17-11-2-1-3-12(18)14(11)15-22-13(8-23-15)9-4-6-10(7-5-9)16(19,20)21/h1-7,13H,8H2
InChIKeyBAYGFLZPGLGONB-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.50
Rot. Bonds2

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

2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 14853251) has the molecular formula C16H10F5NO and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID14853251
Molecular FormulaC16H10F5NO
Molecular Weight327.25 g/mol
Exact Mass327.07
IUPAC Name2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C16H10F5NO/c17-11-2-1-3-12(18)14(11)15-22-13(8-23-15)9-4-6-10(7-5-9)16(19,20)21/h1-7,13H,8H2
InChIKeyBAYGFLZPGLGONB-UHFFFAOYSA-N
XLogP4.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 14853251) is 2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is BAYGFLZPGLGONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5NO/c17-11-2-1-3-12(18)14(11)15-22-13(8-23-15)9-4-6-10(7-5-9)16(19,20)21/h1-7,13H,8H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 327.25 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).