1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine

C17H30N6O2 — CID 111554317

About 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine

1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine (PubChem CID 111554317) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine.

Molecular Properties

• Compound Name: 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
• PubChem CID: 111554317
• Molecular Formula: C17H30N6O2
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.24
• IUPAC Name: 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
• SMILES: CCN/C(=N\CCCN1CCCC1=O)NCCc1nc(C(C)C)no1
• InChI: InChI=1S/C17H30N6O2/c1-4-18-17(19-9-6-12-23-11-5-7-15(23)24)20-10-8-14-21-16(13(2)3)22-25-14/h13H,4-12H2,1-3H3,(H2,18,19,20)
• InChIKey: FFFGDJVISGXNPJ-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 95.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?

The IUPAC name of 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine (CID 111554317) is 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine.

What is the SMILES notation for 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?

The canonical SMILES for 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine is CCN/C(=N\CCCN1CCCC1=O)NCCc1nc(C(C)C)no1.

What is the InChIKey of 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?

The InChIKey is FFFGDJVISGXNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-4-18-17(19-9-6-12-23-11-5-7-15(23)24)20-10-8-14-21-16(13(2)3)22-25-14/h13H,4-12H2,1-3H3,(H2,18,19,20).

What are the key properties of 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine?

1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine has a molecular weight of 350.47 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 111554317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).