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

C13H21F2N3O2 — CID 103151078

IUPAC2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(CCOCC(F)F)no1
InChIInChI=1S/C13H21F2N3O2/c1-2-16-10-5-3-4-9(10)13-17-12(18-20-13)6-7-19-8-11(14)15/h9-11,16H,2-8H2,1H3
InChIKeyZMJKOJQHPLKRIZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.14
Rot. Bonds8

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

2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine (PubChem CID 103151078) has the molecular formula C13H21F2N3O2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
PubChem CID103151078
Molecular FormulaC13H21F2N3O2
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1c1nc(CCOCC(F)F)no1
InChIInChI=1S/C13H21F2N3O2/c1-2-16-10-5-3-4-9(10)13-17-12(18-20-13)6-7-19-8-11(14)15/h9-11,16H,2-8H2,1H3
InChIKeyZMJKOJQHPLKRIZ-UHFFFAOYSA-N
XLogP2.14
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.14
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 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine (CID 103151078) is 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine is CCNC1CCCC1c1nc(CCOCC(F)F)no1.
What is the InChIKey of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine?
The InChIKey is ZMJKOJQHPLKRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2/c1-2-16-10-5-3-4-9(10)13-17-12(18-20-13)6-7-19-8-11(14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine?
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine has a molecular weight of 289.33 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 103151078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).