5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole

C11H10F3NO2 — CID 68826369

IUPAC5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole
SMILESCC1=CCN(Oc2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C11H10F3NO2/c1-8-6-7-15(16-8)17-10-4-2-9(3-5-10)11(12,13)14/h2-6H,7H2,1H3
InChIKeyXTQJNJIHMMZYAI-UHFFFAOYSA-N
MW245.20 g/mol
LogP3.15
Rot. Bonds2

About 5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole

5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole (PubChem CID 68826369) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole
PubChem CID68826369
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole
SMILESCC1=CCN(Oc2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C11H10F3NO2/c1-8-6-7-15(16-8)17-10-4-2-9(3-5-10)11(12,13)14/h2-6H,7H2,1H3
InChIKeyXTQJNJIHMMZYAI-UHFFFAOYSA-N
XLogP3.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
CID 59933429
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 176691111
1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
CID 168512748
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
CID 117233378
5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole
CID 117187958
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole?
The IUPAC name of 5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole (CID 68826369) is 5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole is CC1=CCN(Oc2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole?
The InChIKey is XTQJNJIHMMZYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-8-6-7-15(16-8)17-10-4-2-9(3-5-10)11(12,13)14/h2-6H,7H2,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole?
5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole has a molecular weight of 245.20 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole is sourced from PubChem (CID 68826369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).