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

C11H10F3NO — CID 154391398

IUPAC4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCC1CON=C1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-7-6-16-15-10(7)8-4-2-3-5-9(8)11(12,13)14/h2-5,7H,6H2,1H3
InChIKeyGOWQXRIOBXYOBL-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.08
Rot. Bonds1

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

4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 154391398) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID154391398
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCC1CON=C1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-7-6-16-15-10(7)8-4-2-3-5-9(8)11(12,13)14/h2-5,7H,6H2,1H3
InChIKeyGOWQXRIOBXYOBL-UHFFFAOYSA-N
XLogP3.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (CID 154391398) is 4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is CC1CON=C1c1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is GOWQXRIOBXYOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-7-6-16-15-10(7)8-4-2-3-5-9(8)11(12,13)14/h2-5,7H,6H2,1H3.
What are the key properties of 4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 229.20 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 154391398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).