5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol

C20H20FN3O2 — CID 74506979

About 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol

5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 74506979) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
• PubChem CID: 74506979
• Molecular Formula: C20H20FN3O2
• Molecular Weight: 353.40 g/mol
• Exact Mass: 353.15
• IUPAC Name: 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
• SMILES: OC1CC(c2nc(Cc3ccccc3)no2)N(Cc2ccc(F)cc2)C1
• InChI: InChI=1S/C20H20FN3O2/c21-16-8-6-15(7-9-16)12-24-13-17(25)11-18(24)20-22-19(23-26-20)10-14-4-2-1-3-5-14/h1-9,17-18,25H,10-13H2
• InChIKey: DPVQIIJXMICDHR-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.40
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol?

The IUPAC name of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol (CID 74506979) is 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol.

What is the SMILES notation for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol?

The canonical SMILES for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol is OC1CC(c2nc(Cc3ccccc3)no2)N(Cc2ccc(F)cc2)C1.

What is the InChIKey of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol?

The InChIKey is DPVQIIJXMICDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-16-8-6-15(7-9-16)12-24-13-17(25)11-18(24)20-22-19(23-26-20)10-14-4-2-1-3-5-14/h1-9,17-18,25H,10-13H2.

What are the key properties of 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol?

5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 353.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 74506979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).