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

C19H22ClN4O3+ — CID 9371748

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

[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (PubChem CID 9371748) has the molecular formula C19H22ClN4O3+ and a molecular weight of 389.86 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

Molecular Properties

• Compound Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
• PubChem CID: 9371748
• Molecular Formula: C19H22ClN4O3+
• Molecular Weight: 389.86 g/mol
• Exact Mass: 389.14
• IUPAC Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
• SMILES: CCC[NH+](CC(=O)Nc1ccc(Cl)cc1C)Cc1nnc(-c2ccco2)o1
• InChI: InChI=1S/C19H21ClN4O3/c1-3-8-24(11-17(25)21-15-7-6-14(20)10-13(15)2)12-18-22-23-19(27-18)16-5-4-9-26-16/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,21,25)/p+1
• InChIKey: JFHJVRYJIOVSKC-UHFFFAOYSA-O
• XLogP: 2.73
• TPSA: 85.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.86
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (CID 9371748) is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

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

The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is CCC[NH+](CC(=O)Nc1ccc(Cl)cc1C)Cc1nnc(-c2ccco2)o1.

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

The InChIKey is JFHJVRYJIOVSKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21ClN4O3/c1-3-8-24(11-17(25)21-15-7-6-14(20)10-13(15)2)12-18-22-23-19(27-18)16-5-4-9-26-16/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,21,25)/p+1.

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

[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium has a molecular weight of 389.86 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is sourced from PubChem (CID 9371748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).