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

C11H10F3NO — CID 162605012

IUPAC4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole
SMILESCC1=COC(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C11H10F3NO/c1-7-6-16-10(15-7)8-2-4-9(5-3-8)11(12,13)14/h2-6,10,15H,1H3
InChIKeyYPBYTWMFEITTNK-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.19
Rot. Bonds1

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

4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole (PubChem CID 162605012) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole
PubChem CID162605012
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole
SMILESCC1=COC(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C11H10F3NO/c1-7-6-16-10(15-7)8-2-4-9(5-3-8)11(12,13)14/h2-6,10,15H,1H3
InChIKeyYPBYTWMFEITTNK-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole (CID 162605012) is 4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole is CC1=COC(c2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of 4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole?
The InChIKey is YPBYTWMFEITTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-7-6-16-10(15-7)8-2-4-9(5-3-8)11(12,13)14/h2-6,10,15H,1H3.
What are the key properties of 4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole?
4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole has a molecular weight of 229.20 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 162605012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).