N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide

C20H18ClN7O2 — CID 55361336

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide (PubChem CID 55361336) has the molecular formula C20H18ClN7O2 and a molecular weight of 423.86 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide
• PubChem CID: 55361336
• Molecular Formula: C20H18ClN7O2
• Molecular Weight: 423.86 g/mol
• Exact Mass: 423.12
• IUPAC Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide
• SMILES: CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(-n2cnnn2)c1
• InChI: InChI=1S/C20H18ClN7O2/c1-2-10-27(12-18-23-24-19(30-18)16-8-3-4-9-17(16)21)20(29)14-6-5-7-15(11-14)28-13-22-25-26-28/h3-9,11,13H,2,10,12H2,1H3
• InChIKey: WUBKGYIAZTYIEX-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 102.83 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.86
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide?

The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide (CID 55361336) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide.

What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide?

The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(-n2cnnn2)c1.

What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide?

The InChIKey is WUBKGYIAZTYIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O2/c1-2-10-27(12-18-23-24-19(30-18)16-8-3-4-9-17(16)21)20(29)14-6-5-7-15(11-14)28-13-22-25-26-28/h3-9,11,13H,2,10,12H2,1H3.

What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide?

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 423.86 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55361336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).