1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C21H22ClN5O2 — CID 120864253

About 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120864253) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
• PubChem CID: 120864253
• Molecular Formula: C21H22ClN5O2
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.15
• IUPAC Name: 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
• SMILES: Cc1ccc2nc(COc3cccc(-c4nc(C5(N)CCC5)no4)c3)cn2c1.Cl
• InChI: InChI=1S/C21H21N5O2.ClH/c1-14-6-7-18-23-16(12-26(18)11-14)13-27-17-5-2-4-15(10-17)19-24-20(25-28-19)21(22)8-3-9-21;/h2,4-7,10-12H,3,8-9,13,22H2,1H3;1H
• InChIKey: ZKDAJTMYRDGAFL-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 91.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?

The IUPAC name of 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120864253) is 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

What is the SMILES notation for 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?

The canonical SMILES for 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cc1ccc2nc(COc3cccc(-c4nc(C5(N)CCC5)no4)c3)cn2c1.Cl.

What is the InChIKey of 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?

The InChIKey is ZKDAJTMYRDGAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.ClH/c1-14-6-7-18-23-16(12-26(18)11-14)13-27-17-5-2-4-15(10-17)19-24-20(25-28-19)21(22)8-3-9-21;/h2,4-7,10-12H,3,8-9,13,22H2,1H3;1H.

What are the key properties of 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?

1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 411.89 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120864253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).