1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C17H19ClFN5O — CID 120852901

About 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120852901) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
• PubChem CID: 120852901
• Molecular Formula: C17H19ClFN5O
• Molecular Weight: 363.82 g/mol
• Exact Mass: 363.13
• IUPAC Name: 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
• SMILES: Cc1nc2cc(F)cc(-c3nc(C4(N)CCCC4)no3)c2nc1C.Cl
• InChI: InChI=1S/C17H18FN5O.ClH/c1-9-10(2)21-14-12(7-11(18)8-13(14)20-9)15-22-16(23-24-15)17(19)5-3-4-6-17;/h7-8H,3-6,19H2,1-2H3;1H
• InChIKey: CYTROUFGDUYYJO-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 90.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.82
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The IUPAC name of 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120852901) is 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

What is the SMILES notation for 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The canonical SMILES for 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cc1nc2cc(F)cc(-c3nc(C4(N)CCCC4)no3)c2nc1C.Cl.

What is the InChIKey of 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The InChIKey is CYTROUFGDUYYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O.ClH/c1-9-10(2)21-14-12(7-11(18)8-13(14)20-9)15-22-16(23-24-15)17(19)5-3-4-6-17;/h7-8H,3-6,19H2,1-2H3;1H.

What are the key properties of 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 363.82 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120852901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).