3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline

C12H15F3N2O — CID 118231317

IUPAC3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline
SMILESCC1CN(c2cc(N)cc(C(F)(F)F)c2)C(C)O1
InChIInChI=1S/C12H15F3N2O/c1-7-6-17(8(2)18-7)11-4-9(12(13,14)15)3-10(16)5-11/h3-5,7-8H,6,16H2,1-2H3
InChIKeyQRYAWBACKZIAPY-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.86
Rot. Bonds1

About 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline

3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline (PubChem CID 118231317) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline
PubChem CID118231317
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline
SMILESCC1CN(c2cc(N)cc(C(F)(F)F)c2)C(C)O1
InChIInChI=1S/C12H15F3N2O/c1-7-6-17(8(2)18-7)11-4-9(12(13,14)15)3-10(16)5-11/h3-5,7-8H,6,16H2,1-2H3
InChIKeyQRYAWBACKZIAPY-UHFFFAOYSA-N
XLogP2.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)aniline
CID 124634393
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)aniline
CID 124634394
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626
(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethylpiperazine
CID 58938270
3-(2,6-dimethylmorpholin-4-yl)-5-nitroaniline
CID 80764863
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 82995990
3-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 82022182
3-[2-[3-amino-5-(trifluoromethyl)phenyl]-1,1,2,2-tetrafluoroethyl]-5-(trifluoromethyl)aniline
CID 23368887
3-(triazol-1-yl)-5-(trifluoromethyl)aniline
CID 59199733
(2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane
CID 102340222
(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine
CID 6928964
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylpiperazine
CID 72985887

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline (CID 118231317) is 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline is CC1CN(c2cc(N)cc(C(F)(F)F)c2)C(C)O1.
What is the InChIKey of 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline?
The InChIKey is QRYAWBACKZIAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7-6-17(8(2)18-7)11-4-9(12(13,14)15)3-10(16)5-11/h3-5,7-8H,6,16H2,1-2H3.
What are the key properties of 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline?
3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline has a molecular weight of 260.26 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1,3-oxazolidin-3-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 118231317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).