4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C15H11F3N4O — CID 25110246

IUPAC4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C(F)(F)F
InChIInChI=1S/C15H11F3N4O/c1-8-2-3-10(6-11(8)15(16,17)18)14-21-13(22-23-14)9-4-5-20-12(19)7-9/h2-7H,1H3,(H2,19,20)
InChIKeyZTSNTNLEALXLAJ-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.71
Rot. Bonds2

About 4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 25110246) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID25110246
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C(F)(F)F
InChIInChI=1S/C15H11F3N4O/c1-8-2-3-10(6-11(8)15(16,17)18)14-21-13(22-23-14)9-4-5-20-12(19)7-9/h2-7H,1H3,(H2,19,20)
InChIKeyZTSNTNLEALXLAJ-UHFFFAOYSA-N
XLogP3.71
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28539900
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525136
3-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 163238615
4-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 107916360
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66064570
4-(3,4-dimethylphenyl)pyridin-2-amine
CID 82398202
3-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-amine
CID 11485347
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79078348
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
[2-methyl-4-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 66678083

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of 4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 25110246) is 4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is Cc1ccc(-c2nc(-c3ccnc(N)c3)no2)cc1C(F)(F)F.
What is the InChIKey of 4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is ZTSNTNLEALXLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-8-2-3-10(6-11(8)15(16,17)18)14-21-13(22-23-14)9-4-5-20-12(19)7-9/h2-7H,1H3,(H2,19,20).
What are the key properties of 4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 320.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 25110246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).