2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide

C24H22FN3O3S — CID 41023380

About 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide

2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (PubChem CID 41023380) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
• PubChem CID: 41023380
• Molecular Formula: C24H22FN3O3S
• Molecular Weight: 451.52 g/mol
• Exact Mass: 451.14
• IUPAC Name: 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
• SMILES: C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)N[C@H](C)c2cccc3ccccc23)o1
• InChI: InChI=1S/C24H22FN3O3S/c1-15(18-11-7-9-17-8-3-4-10-19(17)18)26-22(29)14-32-24-28-27-23(31-24)16(2)30-21-13-6-5-12-20(21)25/h3-13,15-16H,14H2,1-2H3,(H,26,29)/t15-,16+/m1/s1
• InChIKey: RUOJCGHNPRDXFN-CVEARBPZSA-N
• XLogP: 5.47
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.52
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?

The IUPAC name of 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (CID 41023380) is 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.

What is the SMILES notation for 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?

The canonical SMILES for 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)N[C@H](C)c2cccc3ccccc23)o1.

What is the InChIKey of 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?

The InChIKey is RUOJCGHNPRDXFN-CVEARBPZSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-15(18-11-7-9-17-8-3-4-10-19(17)18)26-22(29)14-32-24-28-27-23(31-24)16(2)30-21-13-6-5-12-20(21)25/h3-13,15-16H,14H2,1-2H3,(H,26,29)/t15-,16+/m1/s1.

What are the key properties of 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?

2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide has a molecular weight of 451.52 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is sourced from PubChem (CID 41023380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).