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

C11H16F3N3O2 — CID 103476821

IUPAC1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(Cc1nc(COCC(F)(F)F)no1)C1CC1
InChIInChI=1S/C11H16F3N3O2/c1-15-8(7-2-3-7)4-10-16-9(17-19-10)5-18-6-11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyLFKDQAUAPFUYEF-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.69
Rot. Bonds7

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

1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 103476821) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID103476821
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(Cc1nc(COCC(F)(F)F)no1)C1CC1
InChIInChI=1S/C11H16F3N3O2/c1-15-8(7-2-3-7)4-10-16-9(17-19-10)5-18-6-11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyLFKDQAUAPFUYEF-UHFFFAOYSA-N
XLogP1.69
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 103476821) is 1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CNC(Cc1nc(COCC(F)(F)F)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is LFKDQAUAPFUYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-15-8(7-2-3-7)4-10-16-9(17-19-10)5-18-6-11(12,13)14/h7-8,15H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 279.26 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 103476821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).