N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

C19H21ClN4O2S — CID 9374987

About N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 9374987) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
• PubChem CID: 9374987
• Molecular Formula: C19H21ClN4O2S
• Molecular Weight: 404.92 g/mol
• Exact Mass: 404.11
• IUPAC Name: N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
• SMILES: CCCN(CC(=O)Nc1ccc(Cl)cc1C)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C19H21ClN4O2S/c1-3-8-24(11-17(25)21-15-7-6-14(20)10-13(15)2)12-18-22-23-19(26-18)16-5-4-9-27-16/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,21,25)
• InChIKey: DMDPSPMRLCZFJP-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.92
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 9374987) is N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

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

The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1C)Cc1nnc(-c2cccs2)o1.

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

The InChIKey is DMDPSPMRLCZFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-3-8-24(11-17(25)21-15-7-6-14(20)10-13(15)2)12-18-22-23-19(26-18)16-5-4-9-27-16/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,21,25).

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

N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 404.92 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9374987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).