3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole

C14H10F3NO2 — CID 53247691

IUPAC3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccc(C2CC(c3ccoc3)=NO2)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-3-1-9(2-4-11)13-7-12(18-20-13)10-5-6-19-8-10/h1-6,8,13H,7H2
InChIKeyJZOHLRNNTGNKGA-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.16
Rot. Bonds2

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

3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 53247691) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID53247691
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccc(C2CC(c3ccoc3)=NO2)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)11-3-1-9(2-4-11)13-7-12(18-20-13)10-5-6-19-8-10/h1-6,8,13H,7H2
InChIKeyJZOHLRNNTGNKGA-UHFFFAOYSA-N
XLogP4.16
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (CID 53247691) is 3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is FC(F)(F)c1ccc(C2CC(c3ccoc3)=NO2)cc1.
What is the InChIKey of 3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is JZOHLRNNTGNKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)11-3-1-9(2-4-11)13-7-12(18-20-13)10-5-6-19-8-10/h1-6,8,13H,7H2.
What are the key properties of 3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 281.23 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 53247691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).