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

C15H11F2N3O3S — CID 18091414

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

N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 18091414) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 18091414
• Molecular Formula: C15H11F2N3O3S
• Molecular Weight: 351.33 g/mol
• Exact Mass: 351.05
• IUPAC Name: N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• SMILES: CC(Sc1nnc(-c2ccco2)o1)C(=O)Nc1cc(F)ccc1F
• InChI: InChI=1S/C15H11F2N3O3S/c1-8(13(21)18-11-7-9(16)4-5-10(11)17)24-15-20-19-14(23-15)12-3-2-6-22-12/h2-8H,1H3,(H,18,21)
• InChIKey: UULAWJCWWYOGRG-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.33
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 18091414) is N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

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

The canonical SMILES for N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CC(Sc1nnc(-c2ccco2)o1)C(=O)Nc1cc(F)ccc1F.

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

The InChIKey is UULAWJCWWYOGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c1-8(13(21)18-11-7-9(16)4-5-10(11)17)24-15-20-19-14(23-15)12-3-2-6-22-12/h2-8H,1H3,(H,18,21).

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

N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 351.33 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 18091414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).