2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole

C12H8F3NO2 — CID 141125841

IUPAC2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole
SMILESFC(F)(F)Oc1ccc(/C=C/c2ncco2)cc1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)18-10-4-1-9(2-5-10)3-6-11-16-7-8-17-11/h1-8H/b6-3+
InChIKeyGMQNNFZCHXRRPT-ZZXKWVIFSA-N
MW255.20 g/mol
LogP3.74
Rot. Bonds3

About 2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole

2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole (PubChem CID 141125841) has the molecular formula C12H8F3NO2 and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole
PubChem CID141125841
Molecular FormulaC12H8F3NO2
Molecular Weight255.20 g/mol
Exact Mass255.05
IUPAC Name2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole
SMILESFC(F)(F)Oc1ccc(/C=C/c2ncco2)cc1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)18-10-4-1-9(2-5-10)3-6-11-16-7-8-17-11/h1-8H/b6-3+
InChIKeyGMQNNFZCHXRRPT-ZZXKWVIFSA-N
XLogP3.74
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole?
The IUPAC name of 2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole (CID 141125841) is 2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole.
What is the SMILES notation for 2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole?
The canonical SMILES for 2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole is FC(F)(F)Oc1ccc(/C=C/c2ncco2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole?
The InChIKey is GMQNNFZCHXRRPT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H8F3NO2/c13-12(14,15)18-10-4-1-9(2-5-10)3-6-11-16-7-8-17-11/h1-8H/b6-3+.
What are the key properties of 2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole?
2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole has a molecular weight of 255.20 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole is sourced from PubChem (CID 141125841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).