[2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium

C19H20N5O3+ — CID 9371324

About [2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium

[2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (PubChem CID 9371324) has the molecular formula C19H20N5O3+ and a molecular weight of 366.40 g/mol. Its IUPAC name is [2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

Molecular Properties

• Compound Name: [2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
• PubChem CID: 9371324
• Molecular Formula: C19H20N5O3+
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.16
• IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
• SMILES: CCC[NH+](CC(=O)Nc1cccc(C#N)c1)Cc1nnc(-c2ccco2)o1
• InChI: InChI=1S/C19H19N5O3/c1-2-8-24(12-17(25)21-15-6-3-5-14(10-15)11-20)13-18-22-23-19(27-18)16-7-4-9-26-16/h3-7,9-10H,2,8,12-13H2,1H3,(H,21,25)/p+1
• InChIKey: KLXXQQUOQVYFFW-UHFFFAOYSA-O
• XLogP: 1.63
• TPSA: 109.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.40
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (CID 9371324) is [2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

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

The canonical SMILES for [2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is CCC[NH+](CC(=O)Nc1cccc(C#N)c1)Cc1nnc(-c2ccco2)o1.

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

The InChIKey is KLXXQQUOQVYFFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19N5O3/c1-2-8-24(12-17(25)21-15-6-3-5-14(10-15)11-20)13-18-22-23-19(27-18)16-7-4-9-26-16/h3-7,9-10H,2,8,12-13H2,1H3,(H,21,25)/p+1.

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

[2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium has a molecular weight of 366.40 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-cyanoanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is sourced from PubChem (CID 9371324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).