2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole

C20H14N4O2S — CID 4821152

About 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole

2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 4821152) has the molecular formula C20H14N4O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
• PubChem CID: 4821152
• Molecular Formula: C20H14N4O2S
• Molecular Weight: 374.43 g/mol
• Exact Mass: 374.08
• IUPAC Name: 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
• SMILES: c1ccc(-c2cnc(CSc3nnc(-c4c[nH]c5ccccc45)o3)o2)cc1
• InChI: InChI=1S/C20H14N4O2S/c1-2-6-13(7-3-1)17-11-22-18(25-17)12-27-20-24-23-19(26-20)15-10-21-16-9-5-4-8-14(15)16/h1-11,21H,12H2
• InChIKey: GIOMKTHFCATTTF-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 80.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.43
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 4821152) is 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole is c1ccc(-c2cnc(CSc3nnc(-c4c[nH]c5ccccc45)o3)o2)cc1.

What is the InChIKey of 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?

The InChIKey is GIOMKTHFCATTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S/c1-2-6-13(7-3-1)17-11-22-18(25-17)12-27-20-24-23-19(26-20)15-10-21-16-9-5-4-8-14(15)16/h1-11,21H,12H2.

What are the key properties of 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?

2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 374.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-indol-3-yl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 4821152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).