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

C19H22ClN4O3+ — CID 9371191

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

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (PubChem CID 9371191) has the molecular formula C19H22ClN4O3+ and a molecular weight of 389.86 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

Molecular Properties

• Compound Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
• PubChem CID: 9371191
• Molecular Formula: C19H22ClN4O3+
• Molecular Weight: 389.86 g/mol
• Exact Mass: 389.14
• IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium
• SMILES: CCC[NH+](CC(=O)NCc1ccc(Cl)cc1)Cc1nnc(-c2ccco2)o1
• InChI: InChI=1S/C19H21ClN4O3/c1-2-9-24(12-17(25)21-11-14-5-7-15(20)8-6-14)13-18-22-23-19(27-18)16-4-3-10-26-16/h3-8,10H,2,9,11-13H2,1H3,(H,21,25)/p+1
• InChIKey: VVDMIVSBOMQZAX-UHFFFAOYSA-O
• XLogP: 2.09
• TPSA: 85.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.86
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium (CID 9371191) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium.

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

The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is CCC[NH+](CC(=O)NCc1ccc(Cl)cc1)Cc1nnc(-c2ccco2)o1.

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

The InChIKey is VVDMIVSBOMQZAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21ClN4O3/c1-2-9-24(12-17(25)21-11-14-5-7-15(20)8-6-14)13-18-22-23-19(27-18)16-4-3-10-26-16/h3-8,10H,2,9,11-13H2,1H3,(H,21,25)/p+1.

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

[2-[(4-chlorophenyl)methylamino]-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 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-propylazanium is sourced from PubChem (CID 9371191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).