4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine

C12H20F3N3O2 — CID 103146004

IUPAC4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)CC(CN)c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C12H20F3N3O2/c1-8(2)5-9(6-16)11-17-10(18-20-11)3-4-19-7-12(13,14)15/h8-9H,3-7,16H2,1-2H3
InChIKeyMAQXAHVDWJCACS-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.28
Rot. Bonds8

About 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine

4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 103146004) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID103146004
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)CC(CN)c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C12H20F3N3O2/c1-8(2)5-9(6-16)11-17-10(18-20-11)3-4-19-7-12(13,14)15/h8-9H,3-7,16H2,1-2H3
InChIKeyMAQXAHVDWJCACS-UHFFFAOYSA-N
XLogP2.28
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-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 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 103146004) is 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(C)CC(CN)c1nc(CCOCC(F)(F)F)no1.
What is the InChIKey of 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is MAQXAHVDWJCACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-8(2)5-9(6-16)11-17-10(18-20-11)3-4-19-7-12(13,14)15/h8-9H,3-7,16H2,1-2H3.
What are the key properties of 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 295.31 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 103146004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).