2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide

C23H19ClN4O4S — CID 55672083

About 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide (PubChem CID 55672083) has the molecular formula C23H19ClN4O4S and a molecular weight of 482.95 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
• PubChem CID: 55672083
• Molecular Formula: C23H19ClN4O4S
• Molecular Weight: 482.95 g/mol
• Exact Mass: 482.08
• IUPAC Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
• SMILES: COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1OCc1ccncc1
• InChI: InChI=1S/C23H19ClN4O4S/c1-30-19-7-6-18(12-20(19)31-13-15-8-10-25-11-9-15)26-21(29)14-33-23-28-27-22(32-23)16-2-4-17(24)5-3-16/h2-12H,13-14H2,1H3,(H,26,29)
• InChIKey: CGBLVNAJOXZMME-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.95
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide?

The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide (CID 55672083) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide.

What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide?

The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide is COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1OCc1ccncc1.

What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide?

The InChIKey is CGBLVNAJOXZMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S/c1-30-19-7-6-18(12-20(19)31-13-15-8-10-25-11-9-15)26-21(29)14-33-23-28-27-22(32-23)16-2-4-17(24)5-3-16/h2-12H,13-14H2,1H3,(H,26,29).

What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide?

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide has a molecular weight of 482.95 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 55672083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).