2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

C24H23N3O2S — CID 1300357

About 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 1300357) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 1300357
• Molecular Formula: C24H23N3O2S
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.15
• IUPAC Name: 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)o2)cc1
• InChI: InChI=1S/C24H23N3O2S/c1-16(2)17-10-12-20(13-11-17)25-22(28)15-30-24-27-26-23(29-24)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,16H,14-15H2,1-2H3,(H,25,28)
• InChIKey: YQMMHTGGFPLERY-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide (CID 1300357) is 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)o2)cc1.

What is the InChIKey of 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is YQMMHTGGFPLERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-16(2)17-10-12-20(13-11-17)25-22(28)15-30-24-27-26-23(29-24)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-13,16H,14-15H2,1-2H3,(H,25,28).

What are the key properties of 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide?

2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1300357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).