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

C13H14F3N3O2 — CID 106395308

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(NCCc1ncon1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O2/c1-9(17-7-6-12-18-8-20-19-12)10-2-4-11(5-3-10)21-13(14,15)16/h2-5,8-9,17H,6-7H2,1H3
InChIKeyOGJPXMWTNXBXKB-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.86
Rot. Bonds6

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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 106395308) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID106395308
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(NCCc1ncon1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O2/c1-9(17-7-6-12-18-8-20-19-12)10-2-4-11(5-3-10)21-13(14,15)16/h2-5,8-9,17H,6-7H2,1H3
InChIKeyOGJPXMWTNXBXKB-UHFFFAOYSA-N
XLogP2.86
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106395538
1-(4-methylsulfanylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395806
1-(3-fluoro-4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395709
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 106395347
5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106396467
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 64548302
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106392553
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol
CID 107270306
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 103913010

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine (CID 106395308) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine is CC(NCCc1ncon1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is OGJPXMWTNXBXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-9(17-7-6-12-18-8-20-19-12)10-2-4-11(5-3-10)21-13(14,15)16/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 301.27 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 106395308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).