1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride

C18H25ClN4O2 — CID 120868817

About 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride

1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 120868817) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

• Compound Name: 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
• PubChem CID: 120868817
• Molecular Formula: C18H25ClN4O2
• Molecular Weight: 364.88 g/mol
• Exact Mass: 364.17
• IUPAC Name: 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
• SMILES: CNC(C)Cc1noc(C2CCCN2C(=O)Cc2ccccc2)n1.Cl
• InChI: InChI=1S/C18H24N4O2.ClH/c1-13(19-2)11-16-20-18(24-21-16)15-9-6-10-22(15)17(23)12-14-7-4-3-5-8-14;/h3-5,7-8,13,15,19H,6,9-12H2,1-2H3;1H
• InChIKey: JWIQNFRUVWMPAO-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.88
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?

The IUPAC name of 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride (CID 120868817) is 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride.

What is the SMILES notation for 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?

The canonical SMILES for 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride is CNC(C)Cc1noc(C2CCCN2C(=O)Cc2ccccc2)n1.Cl.

What is the InChIKey of 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?

The InChIKey is JWIQNFRUVWMPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-13(19-2)11-16-20-18(24-21-16)15-9-6-10-22(15)17(23)12-14-7-4-3-5-8-14;/h3-5,7-8,13,15,19H,6,9-12H2,1-2H3;1H.

What are the key properties of 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride?

1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 120868817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).