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

C20H20FN3O2S — CID 7633132

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

(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 7633132) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
• PubChem CID: 7633132
• Molecular Formula: C20H20FN3O2S
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.13
• IUPAC Name: (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
• SMILES: CC(C)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)o2)cc1
• InChI: InChI=1S/C20H20FN3O2S/c1-12(2)14-6-10-17(11-7-14)22-18(25)13(3)27-20-24-23-19(26-20)15-4-8-16(21)9-5-15/h4-13H,1-3H3,(H,22,25)/t13-/m1/s1
• InChIKey: HGLLDNJKXLMFIY-CYBMUJFWSA-N
• XLogP: 5.12
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (CID 7633132) is (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.

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

The canonical SMILES for (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)o2)cc1.

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

The InChIKey is HGLLDNJKXLMFIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-12(2)14-6-10-17(11-7-14)22-18(25)13(3)27-20-24-23-19(26-20)15-4-8-16(21)9-5-15/h4-13H,1-3H3,(H,22,25)/t13-/m1/s1.

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

(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 385.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 7633132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).