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

C11H10F3NO3 — CID 68824998

IUPAC5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole
SMILESCC1=CCN(Oc2ccc(OC(F)(F)F)cc2)O1
InChIInChI=1S/C11H10F3NO3/c1-8-6-7-15(17-8)18-10-4-2-9(3-5-10)16-11(12,13)14/h2-6H,7H2,1H3
InChIKeyUCRYAGPYOYOBGG-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.03
Rot. Bonds3

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

5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole (PubChem CID 68824998) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole
PubChem CID68824998
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole
SMILESCC1=CCN(Oc2ccc(OC(F)(F)F)cc2)O1
InChIInChI=1S/C11H10F3NO3/c1-8-6-7-15(17-8)18-10-4-2-9(3-5-10)16-11(12,13)14/h2-6H,7H2,1H3
InChIKeyUCRYAGPYOYOBGG-UHFFFAOYSA-N
XLogP3.03
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole?
The IUPAC name of 5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole (CID 68824998) is 5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole is CC1=CCN(Oc2ccc(OC(F)(F)F)cc2)O1.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole?
The InChIKey is UCRYAGPYOYOBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-8-6-7-15(17-8)18-10-4-2-9(3-5-10)16-11(12,13)14/h2-6H,7H2,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole?
5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole has a molecular weight of 261.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethoxy)phenoxy]-3H-1,2-oxazole is sourced from PubChem (CID 68824998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).