5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole

C15H12F3NO3 — CID 19958682

IUPAC5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(/C=C/c2ccccc2OCC2CO2)on1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)14-7-11(22-19-14)6-5-10-3-1-2-4-13(10)21-9-12-8-20-12/h1-7,12H,8-9H2/b6-5+
InChIKeyFHNOIMFJBKEECY-AATRIKPKSA-N
MW311.26 g/mol
LogP3.64
Rot. Bonds5

About 5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole

5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 19958682) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole
PubChem CID19958682
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(/C=C/c2ccccc2OCC2CO2)on1
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)14-7-11(22-19-14)6-5-10-3-1-2-4-13(10)21-9-12-8-20-12/h1-7,12H,8-9H2/b6-5+
InChIKeyFHNOIMFJBKEECY-AATRIKPKSA-N
XLogP3.64
TPSA47.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole (CID 19958682) is 5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(/C=C/c2ccccc2OCC2CO2)on1.
What is the InChIKey of 5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is FHNOIMFJBKEECY-AATRIKPKSA-N. The full InChI is InChI=1S/C15H12F3NO3/c16-15(17,18)14-7-11(22-19-14)6-5-10-3-1-2-4-13(10)21-9-12-8-20-12/h1-7,12H,8-9H2/b6-5+.
What are the key properties of 5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole?
5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 311.26 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 19958682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).