2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline

C18H17F3N2O — CID 101233518

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILESCC1(C)COC(c2ccccc2Nc2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C18H17F3N2O/c1-17(2)11-24-16(23-17)14-8-3-4-9-15(14)22-13-7-5-6-12(10-13)18(19,20)21/h3-10,22H,11H2,1-2H3
InChIKeyPEZXXNJZGKWXKN-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.00
Rot. Bonds3

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 101233518) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline
PubChem CID101233518
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILESCC1(C)COC(c2ccccc2Nc2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C18H17F3N2O/c1-17(2)11-24-16(23-17)14-8-3-4-9-15(14)22-13-7-5-6-12(10-13)18(19,20)21/h3-10,22H,11H2,1-2H3
InChIKeyPEZXXNJZGKWXKN-UHFFFAOYSA-N
XLogP5.00
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-[5-methyl-4-[2-[3-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
CID 135371932
2-ethynyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 135372433
2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol
CID 142468012
2-[4-[2-[3-(trifluoromethyl)anilino]phenyl]triazol-1-yl]ethanol
CID 135372869
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
N-[3-(trifluoromethyl)phenyl]isoquinolin-5-amine
CID 170512982
N-hydroxy-N-[[2-[3-(trifluoromethyl)anilino]phenyl]methyl]acetamide
CID 15027386
N'-hydrazinyl-2-[3-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142467925
4-tert-butyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 155344319
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline (CID 101233518) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline is CC1(C)COC(c2ccccc2Nc2cccc(C(F)(F)F)c2)=N1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is PEZXXNJZGKWXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-17(2)11-24-16(23-17)14-8-3-4-9-15(14)22-13-7-5-6-12(10-13)18(19,20)21/h3-10,22H,11H2,1-2H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 334.34 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-N-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 101233518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).