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

C7H10F3N3O2 — CID 82007472

IUPAC2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O2/c1-14-3-2-11-4-5-12-6(13-15-5)7(8,9)10/h11H,2-4H2,1H3
InChIKeyARVRPIZJQUPULS-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.82
Rot. Bonds5

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

2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 82007472) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID82007472
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O2/c1-14-3-2-11-4-5-12-6(13-15-5)7(8,9)10/h11H,2-4H2,1H3
InChIKeyARVRPIZJQUPULS-UHFFFAOYSA-N
XLogP0.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 82007472) is 2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is COCCNCc1nc(C(F)(F)F)no1.
What is the InChIKey of 2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is ARVRPIZJQUPULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c1-14-3-2-11-4-5-12-6(13-15-5)7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of 2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 225.17 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82007472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).