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

C10H8F3NO — CID 90942771

IUPAC5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1cccc(C2C=CNO2)c1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-14-15-9/h1-6,9,14H
InChIKeyQYRSUHSKVYYIGD-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.80
Rot. Bonds1

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

5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 90942771) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
PubChem CID90942771
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1cccc(C2C=CNO2)c1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-14-15-9/h1-6,9,14H
InChIKeyQYRSUHSKVYYIGD-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (CID 90942771) is 5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is FC(F)(F)c1cccc(C2C=CNO2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is QYRSUHSKVYYIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-4-5-14-15-9/h1-6,9,14H.
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 215.17 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90942771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).