2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine

C11H10F3N3O — CID 123768629

IUPAC2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
SMILESNCCc1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)10-16-9(17-18-10)8-3-1-2-7(6-8)4-5-15/h1-3,6H,4-5,15H2
InChIKeyHHNWTEROJQOOGM-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.26
Rot. Bonds3

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

2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine (PubChem CID 123768629) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
PubChem CID123768629
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
SMILESNCCc1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)10-16-9(17-18-10)8-3-1-2-7(6-8)4-5-15/h1-3,6H,4-5,15H2
InChIKeyHHNWTEROJQOOGM-UHFFFAOYSA-N
XLogP2.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
CID 170868647
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
3-(3-benzylsulfanylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175179860
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine
CID 67325200
2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 63793365
2-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63795660
[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate
CID 137399890
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 175184749
ethyl 1-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-4-carboxylate
CID 164540086
3-[3-(3,4-difluorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175191611
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 160570810
3-[4-[[3-(difluoromethoxy)phenyl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139328646

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine?
The IUPAC name of 2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine (CID 123768629) is 2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine is NCCc1cccc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of 2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine?
The InChIKey is HHNWTEROJQOOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)10-16-9(17-18-10)8-3-1-2-7(6-8)4-5-15/h1-3,6H,4-5,15H2.
What are the key properties of 2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine?
2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine has a molecular weight of 257.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine is sourced from PubChem (CID 123768629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).