N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H17F2N3O2S — CID 78766163

About N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 78766163) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 78766163
• Molecular Formula: C19H17F2N3O2S
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.10
• IUPAC Name: N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: CC(Cc1nnc(SCC(=O)Nc2cc(F)ccc2F)o1)c1ccccc1
• InChI: InChI=1S/C19H17F2N3O2S/c1-12(13-5-3-2-4-6-13)9-18-23-24-19(26-18)27-11-17(25)22-16-10-14(20)7-8-15(16)21/h2-8,10,12H,9,11H2,1H3,(H,22,25)
• InChIKey: RLCJUOPCMSLYSQ-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 78766163) is N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CC(Cc1nnc(SCC(=O)Nc2cc(F)ccc2F)o1)c1ccccc1.

What is the InChIKey of N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is RLCJUOPCMSLYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-12(13-5-3-2-4-6-13)9-18-23-24-19(26-18)27-11-17(25)22-16-10-14(20)7-8-15(16)21/h2-8,10,12H,9,11H2,1H3,(H,22,25).

What are the key properties of N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 389.43 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 78766163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).