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

C10H8F3NO — CID 162542581

IUPAC2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccccc1C1=NCCO1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-4-2-1-3-7(8)9-14-5-6-15-9/h1-4H,5-6H2
InChIKeyPALWKGTYUTYHNR-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.48
Rot. Bonds1

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

2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 162542581) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID162542581
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccccc1C1=NCCO1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-4-2-1-3-7(8)9-14-5-6-15-9/h1-4H,5-6H2
InChIKeyPALWKGTYUTYHNR-UHFFFAOYSA-N
XLogP2.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 162542581) is 2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccccc1C1=NCCO1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is PALWKGTYUTYHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)8-4-2-1-3-7(8)9-14-5-6-15-9/h1-4H,5-6H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 215.17 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 162542581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).