2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole

C18H16N4O3S2 — CID 7734454

About 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole

2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole (PubChem CID 7734454) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
• PubChem CID: 7734454
• Molecular Formula: C18H16N4O3S2
• Molecular Weight: 400.49 g/mol
• Exact Mass: 400.07
• IUPAC Name: 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
• SMILES: CCOc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4cccs4)o3)o2)cc1
• InChI: InChI=1S/C18H16N4O3S2/c1-3-23-13-8-6-12(7-9-13)16-20-22-18(25-16)27-11(2)15-19-21-17(24-15)14-5-4-10-26-14/h4-11H,3H2,1-2H3/t11-/m0/s1
• InChIKey: MNROLZXJTHCHRP-NSHDSACASA-N
• XLogP: 5.10
• TPSA: 87.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.49
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole?

The IUPAC name of 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole (CID 7734454) is 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4cccs4)o3)o2)cc1.

What is the InChIKey of 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole?

The InChIKey is MNROLZXJTHCHRP-NSHDSACASA-N. The full InChI is InChI=1S/C18H16N4O3S2/c1-3-23-13-8-6-12(7-9-13)16-20-22-18(25-16)27-11(2)15-19-21-17(24-15)14-5-4-10-26-14/h4-11H,3H2,1-2H3/t11-/m0/s1.

What are the key properties of 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole?

2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole has a molecular weight of 400.49 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 7734454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).