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

C12H10F3NO2 — CID 117187958

IUPAC5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole
SMILESCc1cnc(COc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H10F3NO2/c1-8-6-16-11(18-8)7-17-10-4-2-9(3-5-10)12(13,14)15/h2-6H,7H2,1H3
InChIKeyGBCRFAKYWNSWNE-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.58
Rot. Bonds3

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

5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole (PubChem CID 117187958) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole
PubChem CID117187958
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole
SMILESCc1cnc(COc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H10F3NO2/c1-8-6-16-11(18-8)7-17-10-4-2-9(3-5-10)12(13,14)15/h2-6H,7H2,1H3
InChIKeyGBCRFAKYWNSWNE-UHFFFAOYSA-N
XLogP3.58
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103912999
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 106371948
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-2-carboxylic acid
CID 117192357
[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 62441296
2-[(2,3-difluorophenoxy)methyl]-5-methyl-1,3-oxazole
CID 124587856
4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216218
N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62441293
2-(4-chlorophenoxy)sulfanyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole
CID 141471112
N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120866073
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole (CID 117187958) is 5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole is Cc1cnc(COc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole?
The InChIKey is GBCRFAKYWNSWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-8-6-16-11(18-8)7-17-10-4-2-9(3-5-10)12(13,14)15/h2-6H,7H2,1H3.
What are the key properties of 5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole?
5-methyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole has a molecular weight of 257.21 g/mol, XLogP of 3.58, 3 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]methyl]-1,3-oxazole is sourced from PubChem (CID 117187958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).