2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C13H14F3N3O — CID 79258677

IUPAC2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(CCc2ccccc2)no1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)9-17-8-12-18-11(19-20-12)7-6-10-4-2-1-3-5-10/h1-5,17H,6-9H2
InChIKeyAKDVTJFYLBPZAE-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.51
Rot. Bonds6

About 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79258677) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79258677
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(CCc2ccccc2)no1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)9-17-8-12-18-11(19-20-12)7-6-10-4-2-1-3-5-10/h1-5,17H,6-9H2
InChIKeyAKDVTJFYLBPZAE-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 114211136
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115359974
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 119041788
5-(chloromethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole
CID 61384973
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760594
2-methyl-N-[2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 61385551
2,2,2-trifluoro-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 78914987
N-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79955022
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120834184
3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767874

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79258677) is 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is FC(F)(F)CNCc1nc(CCc2ccccc2)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is AKDVTJFYLBPZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)9-17-8-12-18-11(19-20-12)7-6-10-4-2-1-3-5-10/h1-5,17H,6-9H2.
What are the key properties of 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 285.27 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79258677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).