1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid

C8H12F3N3O3 — CID 53398843

IUPAC1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid
SMILESCCc1noc(C(C)N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N3O.C2HF3O2/c1-3-5-8-6(4(2)7)10-9-5;3-2(4,5)1(6)7/h4H,3,7H2,1-2H3;(H,6,7)
InChIKeyDMUDJJQKSFZITG-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.28
Rot. Bonds2

About 1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid

1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 53398843) has the molecular formula C8H12F3N3O3 and a molecular weight of 255.20 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid
PubChem CID53398843
Molecular FormulaC8H12F3N3O3
Molecular Weight255.20 g/mol
Exact Mass255.08
IUPAC Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid
SMILESCCc1noc(C(C)N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N3O.C2HF3O2/c1-3-5-8-6(4(2)7)10-9-5;3-2(4,5)1(6)7/h4H,3,7H2,1-2H3;(H,6,7)
InChIKeyDMUDJJQKSFZITG-UHFFFAOYSA-N
XLogP1.28
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid (CID 53398843) is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid is CCc1noc(C(C)N)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is DMUDJJQKSFZITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.C2HF3O2/c1-3-5-8-6(4(2)7)10-9-5;3-2(4,5)1(6)7/h4H,3,7H2,1-2H3;(H,6,7).
What are the key properties of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid?
1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 255.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53398843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).