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

C12H19F2N3O2 — CID 103151079

IUPAC2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1nc(CCOCC(F)F)no1
InChIInChI=1S/C12H19F2N3O2/c1-15-9-4-2-3-8(9)12-16-11(17-19-12)5-6-18-7-10(13)14/h8-10,15H,2-7H2,1H3
InChIKeyWSYZDFPBSJAGLT-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.75
Rot. Bonds7

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

2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine (PubChem CID 103151079) has the molecular formula C12H19F2N3O2 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
PubChem CID103151079
Molecular FormulaC12H19F2N3O2
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1nc(CCOCC(F)F)no1
InChIInChI=1S/C12H19F2N3O2/c1-15-9-4-2-3-8(9)12-16-11(17-19-12)5-6-18-7-10(13)14/h8-10,15H,2-7H2,1H3
InChIKeyWSYZDFPBSJAGLT-UHFFFAOYSA-N
XLogP1.75
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.75
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-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine (CID 103151079) is 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine is CNC1CCCC1c1nc(CCOCC(F)F)no1.
What is the InChIKey of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The InChIKey is WSYZDFPBSJAGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2/c1-15-9-4-2-3-8(9)12-16-11(17-19-12)5-6-18-7-10(13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine has a molecular weight of 275.30 g/mol, XLogP of 1.75, 7 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-methylcyclopentan-1-amine is sourced from PubChem (CID 103151079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).