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

C10H8F3NO — CID 123557538

IUPAC4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(C2COC=N2)cc1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-7(2-4-8)9-5-15-6-14-9/h1-4,6,9H,5H2
InChIKeyOOXFCVXVKDDQPM-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.81
Rot. Bonds1

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

4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 123557538) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID123557538
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(C2COC=N2)cc1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-7(2-4-8)9-5-15-6-14-9/h1-4,6,9H,5H2
InChIKeyOOXFCVXVKDDQPM-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 123557538) is 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccc(C2COC=N2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is OOXFCVXVKDDQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-7(2-4-8)9-5-15-6-14-9/h1-4,6,9H,5H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 215.17 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 123557538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).