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

C18H18ClFN4O2S — CID 9372262

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

N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 9372262) has the molecular formula C18H18ClFN4O2S and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
• PubChem CID: 9372262
• Molecular Formula: C18H18ClFN4O2S
• Molecular Weight: 408.89 g/mol
• Exact Mass: 408.08
• IUPAC Name: N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
• SMILES: CCCN(CC(=O)Nc1cc(Cl)ccc1F)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C18H18ClFN4O2S/c1-2-7-24(10-16(25)21-14-9-12(19)5-6-13(14)20)11-17-22-23-18(26-17)15-4-3-8-27-15/h3-6,8-9H,2,7,10-11H2,1H3,(H,21,25)
• InChIKey: YARFOXVFGJWCAK-UHFFFAOYSA-N
• XLogP: 4.44
• 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	408.89
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 9372262) is N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

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

The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1F)Cc1nnc(-c2cccs2)o1.

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

The InChIKey is YARFOXVFGJWCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O2S/c1-2-7-24(10-16(25)21-14-9-12(19)5-6-13(14)20)11-17-22-23-18(26-17)15-4-3-8-27-15/h3-6,8-9H,2,7,10-11H2,1H3,(H,21,25).

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

N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 408.89 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9372262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).