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

C18H14FN3O4S — CID 18076008

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

2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide (PubChem CID 18076008) has the molecular formula C18H14FN3O4S and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

• Compound Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
• PubChem CID: 18076008
• Molecular Formula: C18H14FN3O4S
• Molecular Weight: 387.39 g/mol
• Exact Mass: 387.07
• IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
• SMILES: CC(Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)Nc1ccccc1F
• InChI: InChI=1S/C18H14FN3O4S/c1-10(16(23)20-13-5-3-2-4-12(13)19)27-18-22-21-17(26-18)11-6-7-14-15(8-11)25-9-24-14/h2-8,10H,9H2,1H3,(H,20,23)
• InChIKey: IOCVILOEVIBZOW-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.39
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide (CID 18076008) is 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide.

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

The canonical SMILES for 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide is CC(Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)Nc1ccccc1F.

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

The InChIKey is IOCVILOEVIBZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4S/c1-10(16(23)20-13-5-3-2-4-12(13)19)27-18-22-21-17(26-18)11-6-7-14-15(8-11)25-9-24-14/h2-8,10H,9H2,1H3,(H,20,23).

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

2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide has a molecular weight of 387.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 18076008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).