2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid

C8H12F3N3O4 — CID 68754047

IUPAC2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCOCc1nc(CCN)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N3O2.C2HF3O2/c1-10-4-6-8-5(2-3-7)9-11-6;3-2(4,5)1(6)7/h2-4,7H2,1H3;(H,6,7)
InChIKeyYNMRDQFGDBGXFE-UHFFFAOYSA-N
MW271.19 g/mol
LogP0.35
Rot. Bonds4

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

2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 68754047) has the molecular formula C8H12F3N3O4 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid
PubChem CID68754047
Molecular FormulaC8H12F3N3O4
Molecular Weight271.19 g/mol
Exact Mass271.08
IUPAC Name2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCOCc1nc(CCN)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11N3O2.C2HF3O2/c1-10-4-6-8-5(2-3-7)9-11-6;3-2(4,5)1(6)7/h2-4,7H2,1H3;(H,6,7)
InChIKeyYNMRDQFGDBGXFE-UHFFFAOYSA-N
XLogP0.35
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid (CID 68754047) is 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid is COCc1nc(CCN)no1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is YNMRDQFGDBGXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2.C2HF3O2/c1-10-4-6-8-5(2-3-7)9-11-6;3-2(4,5)1(6)7/h2-4,7H2,1H3;(H,6,7).
What are the key properties of 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid?
2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 271.19 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68754047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).