5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline

C12H11F3N2O2 — CID 156621301

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline
SMILESCc1noc(C)c1-c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C12H11F3N2O2/c1-6-11(7(2)19-17-6)8-3-4-10(9(16)5-8)18-12(13,14)15/h3-5H,16H2,1-2H3
InChIKeyHUZMLLJACWCNOX-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.44
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline (PubChem CID 156621301) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline
PubChem CID156621301
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline
SMILESCc1noc(C)c1-c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C12H11F3N2O2/c1-6-11(7(2)19-17-6)8-3-4-10(9(16)5-8)18-12(13,14)15/h3-5H,16H2,1-2H3
InChIKeyHUZMLLJACWCNOX-UHFFFAOYSA-N
XLogP3.44
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-N-(3-methylsulfonylpropyl)benzene-1,2-diamine;4-[2-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-(3-methylsulfonylpropyl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 160727596
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine
CID 118980517
4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol
CID 134457385
methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate
CID 167061902
1-N-(3,3-difluorocyclopentyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
CID 153291200
N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide
CID 143121623
2-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]aniline
CID 134624128

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline (CID 156621301) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline is Cc1noc(C)c1-c1ccc(OC(F)(F)F)c(N)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline?
The InChIKey is HUZMLLJACWCNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-6-11(7(2)19-17-6)8-3-4-10(9(16)5-8)18-12(13,14)15/h3-5H,16H2,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline has a molecular weight of 272.23 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 156621301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).