3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole

C11H10F3NO — CID 59407449

IUPAC3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCC1=NOC(c2ccccc2)(C(F)(F)F)C1
InChIInChI=1S/C11H10F3NO/c1-8-7-10(16-15-8,11(12,13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyLJCWLAJEMJDBFN-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.24
Rot. Bonds1

About 3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole

3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 59407449) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID59407449
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCC1=NOC(c2ccccc2)(C(F)(F)F)C1
InChIInChI=1S/C11H10F3NO/c1-8-7-10(16-15-8,11(12,13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyLJCWLAJEMJDBFN-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 59407449) is 3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole is CC1=NOC(c2ccccc2)(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is LJCWLAJEMJDBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-8-7-10(16-15-8,11(12,13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 229.20 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 59407449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).