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

C11H10F3NO — CID 123667564

IUPAC5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESCC1C=C(c2cccc(C(F)(F)F)c2)NO1
InChIInChI=1S/C11H10F3NO/c1-7-5-10(15-16-7)8-3-2-4-9(6-8)11(12,13)14/h2-7,15H,1H3
InChIKeyZOFNRLALADPIGO-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.97
Rot. Bonds1

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

5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 123667564) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
PubChem CID123667564
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESCC1C=C(c2cccc(C(F)(F)F)c2)NO1
InChIInChI=1S/C11H10F3NO/c1-7-5-10(15-16-7)8-3-2-4-9(6-8)11(12,13)14/h2-7,15H,1H3
InChIKeyZOFNRLALADPIGO-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
N-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 20684471
N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
CID 23394254
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57025597
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57046147
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
5-(Chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 57128721
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57154719
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57177311

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (CID 123667564) is 5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is CC1C=C(c2cccc(C(F)(F)F)c2)NO1.
What is the InChIKey of 5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is ZOFNRLALADPIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-7-5-10(15-16-7)8-3-2-4-9(6-8)11(12,13)14/h2-7,15H,1H3.
What are the key properties of 5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 229.20 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123667564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).