[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium

C15H19F3N5O4+ — CID 8689630

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium (PubChem CID 8689630) has the molecular formula C15H19F3N5O4+ and a molecular weight of 390.34 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium.

Molecular Properties

• Compound Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium
• PubChem CID: 8689630
• Molecular Formula: C15H19F3N5O4+
• Molecular Weight: 390.34 g/mol
• Exact Mass: 390.14
• IUPAC Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium
• SMILES: CCC[NH+](CC(=O)NC(=O)NCC(F)(F)F)Cc1nnc(-c2ccco2)o1
• InChI: InChI=1S/C15H18F3N5O4/c1-2-5-23(7-11(24)20-14(25)19-9-15(16,17)18)8-12-21-22-13(27-12)10-4-3-6-26-10/h3-4,6H,2,5,7-9H2,1H3,(H2,19,20,24,25)/p+1
• InChIKey: ULSKOSZXHKUSID-UHFFFAOYSA-O
• XLogP: 0.51
• TPSA: 114.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.34
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium?

The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium (CID 8689630) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium.

What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium?

The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium is CCC[NH+](CC(=O)NC(=O)NCC(F)(F)F)Cc1nnc(-c2ccco2)o1.

What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium?

The InChIKey is ULSKOSZXHKUSID-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18F3N5O4/c1-2-5-23(7-11(24)20-14(25)19-9-15(16,17)18)8-12-21-22-13(27-12)10-4-3-6-26-10/h3-4,6H,2,5,7-9H2,1H3,(H2,19,20,24,25)/p+1.

What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium?

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium has a molecular weight of 390.34 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-propylazanium is sourced from PubChem (CID 8689630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).