1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C8H12F3N3O2 — CID 63350325

IUPAC1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCOCC(N)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O2/c1-15-4-5(12)2-7-13-6(14-16-7)3-8(9,10)11/h5H,2-4,12H2,1H3
InChIKeyHGJQMVRIUWLUBI-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.69
Rot. Bonds5

About 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63350325) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63350325
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCOCC(N)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O2/c1-15-4-5(12)2-7-13-6(14-16-7)3-8(9,10)11/h5H,2-4,12H2,1H3
InChIKeyHGJQMVRIUWLUBI-UHFFFAOYSA-N
XLogP0.69
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63350325) is 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is COCC(N)Cc1nc(CC(F)(F)F)no1.
What is the InChIKey of 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is HGJQMVRIUWLUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-15-4-5(12)2-7-13-6(14-16-7)3-8(9,10)11/h5H,2-4,12H2,1H3.
What are the key properties of 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 239.20 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63350325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).