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

C13H14F3N3O — CID 106395347

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCc1ncon1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O/c1-9(17-6-5-12-18-8-20-19-12)10-3-2-4-11(7-10)13(14,15)16/h2-4,7-9,17H,5-6H2,1H3
InChIKeyJLTDQVWGVVIVBL-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.98
Rot. Bonds5

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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 106395347) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID106395347
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(NCCc1ncon1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O/c1-9(17-6-5-12-18-8-20-19-12)10-3-2-4-11(7-10)13(14,15)16/h2-4,7-9,17H,5-6H2,1H3
InChIKeyJLTDQVWGVVIVBL-UHFFFAOYSA-N
XLogP2.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395346
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106395538
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 106395308
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64547950
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 114183507
2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 106404686
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016
1-(3-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395858
1-(2-bromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396340
2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 107441658
1-(1-benzofuran-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106396498

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 106395347) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is CC(NCCc1ncon1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JLTDQVWGVVIVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-9(17-6-5-12-18-8-20-19-12)10-3-2-4-11(7-10)13(14,15)16/h2-4,7-9,17H,5-6H2,1H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 285.27 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 106395347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).