1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C17H20ClN5O3 — CID 120852042

About 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120852042) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
• PubChem CID: 120852042
• Molecular Formula: C17H20ClN5O3
• Molecular Weight: 377.83 g/mol
• Exact Mass: 377.13
• IUPAC Name: 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
• SMILES: Cc1nc(COc2ccccc2-c2nc(C3(N)CCCC3)no2)no1.Cl
• InChI: InChI=1S/C17H19N5O3.ClH/c1-11-19-14(21-24-11)10-23-13-7-3-2-6-12(13)15-20-16(22-25-15)17(18)8-4-5-9-17;/h2-3,6-7H,4-5,8-10,18H2,1H3;1H
• InChIKey: DXFQBFAXXHCOBB-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 113.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.83
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120852042) is 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

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

The canonical SMILES for 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cc1nc(COc2ccccc2-c2nc(C3(N)CCCC3)no2)no1.Cl.

What is the InChIKey of 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?

The InChIKey is DXFQBFAXXHCOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3.ClH/c1-11-19-14(21-24-11)10-23-13-7-3-2-6-12(13)15-20-16(22-25-15)17(18)8-4-5-9-17;/h2-3,6-7H,4-5,8-10,18H2,1H3;1H.

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

1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 377.83 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120852042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).