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

C13H20F3N3O2 — CID 103151028

IUPAC1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNC(Cc1nc(CCOCC(F)(F)F)no1)C1CC1
InChIInChI=1S/C13H20F3N3O2/c1-2-17-10(9-3-4-9)7-12-18-11(19-21-12)5-6-20-8-13(14,15)16/h9-10,17H,2-8H2,1H3
InChIKeyJPPJYMVLWXDXHI-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.12
Rot. Bonds9

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

1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 103151028) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID103151028
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNC(Cc1nc(CCOCC(F)(F)F)no1)C1CC1
InChIInChI=1S/C13H20F3N3O2/c1-2-17-10(9-3-4-9)7-12-18-11(19-21-12)5-6-20-8-13(14,15)16/h9-10,17H,2-8H2,1H3
InChIKeyJPPJYMVLWXDXHI-UHFFFAOYSA-N
XLogP2.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine 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-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 103151028) is 1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine is CCNC(Cc1nc(CCOCC(F)(F)F)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is JPPJYMVLWXDXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-2-17-10(9-3-4-9)7-12-18-11(19-21-12)5-6-20-8-13(14,15)16/h9-10,17H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 307.32 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 103151028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).