2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C17H17N7O3S2 — CID 43037169

About 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 43037169) has the molecular formula C17H17N7O3S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• PubChem CID: 43037169
• Molecular Formula: C17H17N7O3S2
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.08
• IUPAC Name: 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
• SMILES: CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cn1nnn(-c2cccs2)c1=O
• InChI: InChI=1S/C17H17N7O3S2/c1-2-7-22(10-13-18-19-16(27-13)12-5-3-8-28-12)14(25)11-23-17(26)24(21-20-23)15-6-4-9-29-15/h3-6,8-9H,2,7,10-11H2,1H3
• InChIKey: MHJPLKMKBUAUTM-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 111.94 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 43037169) is 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cn1nnn(-c2cccs2)c1=O.

What is the InChIKey of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

The InChIKey is MHJPLKMKBUAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O3S2/c1-2-7-22(10-13-18-19-16(27-13)12-5-3-8-28-12)14(25)11-23-17(26)24(21-20-23)15-6-4-9-29-15/h3-6,8-9H,2,7,10-11H2,1H3.

What are the key properties of 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?

2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 43037169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).