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

C11H18F3N3O2 — CID 103146058

IUPACN-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O2/c1-3-15-6-8(2)10-16-9(17-19-10)4-5-18-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyOOAYUVOTYZKNCA-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.90
Rot. Bonds8

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

N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 103146058) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID103146058
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCNCC(C)c1nc(CCOCC(F)(F)F)no1
InChIInChI=1S/C11H18F3N3O2/c1-3-15-6-8(2)10-16-9(17-19-10)4-5-18-7-11(12,13)14/h8,15H,3-7H2,1-2H3
InChIKeyOOAYUVOTYZKNCA-UHFFFAOYSA-N
XLogP1.90
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.90
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 N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 103146058) is N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is CCNCC(C)c1nc(CCOCC(F)(F)F)no1.
What is the InChIKey of N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is OOAYUVOTYZKNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-3-15-6-8(2)10-16-9(17-19-10)4-5-18-7-11(12,13)14/h8,15H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 281.28 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 103146058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).