[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium

C20H24ClN4O3+ — CID 9370633

About [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (PubChem CID 9370633) has the molecular formula C20H24ClN4O3+ and a molecular weight of 403.89 g/mol. Its IUPAC name is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

Molecular Properties

• Compound Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
• PubChem CID: 9370633
• Molecular Formula: C20H24ClN4O3+
• Molecular Weight: 403.89 g/mol
• Exact Mass: 403.15
• IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
• SMILES: CCC[NH+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1nnc(-c2ccco2)o1
• InChI: InChI=1S/C20H23ClN4O3/c1-4-7-25(12-18-23-24-20(28-18)16-6-5-8-27-16)11-17(26)22-19-14(3)9-13(2)10-15(19)21/h5-6,8-10H,4,7,11-12H2,1-3H3,(H,22,26)/p+1
• InChIKey: BJPYODNKBDELIN-UHFFFAOYSA-O
• XLogP: 3.03
• TPSA: 85.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.89
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?

The IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (CID 9370633) is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

What is the SMILES notation for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?

The canonical SMILES for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is CCC[NH+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1nnc(-c2ccco2)o1.

What is the InChIKey of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?

The InChIKey is BJPYODNKBDELIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23ClN4O3/c1-4-7-25(12-18-23-24-20(28-18)16-6-5-8-27-16)11-17(26)22-19-14(3)9-13(2)10-15(19)21/h5-6,8-10H,4,7,11-12H2,1-3H3,(H,22,26)/p+1.

What are the key properties of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium?

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium has a molecular weight of 403.89 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is sourced from PubChem (CID 9370633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).