3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole

C12H8F3NO — CID 5290537

IUPAC3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(/C=C/c2ccccc2)no1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11-8-10(16-17-11)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+
InChIKeyQFPSOZUQQRBMBJ-VOTSOKGWSA-N
MW239.20 g/mol
LogP3.86
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole

3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 5290537) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole
PubChem CID5290537
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(/C=C/c2ccccc2)no1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11-8-10(16-17-11)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+
InChIKeyQFPSOZUQQRBMBJ-VOTSOKGWSA-N
XLogP3.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole (CID 5290537) is 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(/C=C/c2ccccc2)no1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is QFPSOZUQQRBMBJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)11-8-10(16-17-11)7-6-9-4-2-1-3-5-9/h1-8H/b7-6+.
What are the key properties of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole?
3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 239.20 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 5290537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).