1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C20H19ClFN3O2 — CID 74506710

About 1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 74506710) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
• PubChem CID: 74506710
• Molecular Formula: C20H19ClFN3O2
• Molecular Weight: 387.84 g/mol
• Exact Mass: 387.11
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
• SMILES: Cc1ccc(-c2noc(C3CC(O)CN3Cc3ccc(Cl)cc3)n2)cc1F
• InChI: InChI=1S/C20H19ClFN3O2/c1-12-2-5-14(8-17(12)22)19-23-20(27-24-19)18-9-16(26)11-25(18)10-13-3-6-15(21)7-4-13/h2-8,16,18,26H,9-11H2,1H3
• InChIKey: APNBJLJAUFSYRY-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.84
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 74506710) is 1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

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

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is Cc1ccc(-c2noc(C3CC(O)CN3Cc3ccc(Cl)cc3)n2)cc1F.

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

The InChIKey is APNBJLJAUFSYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-12-2-5-14(8-17(12)22)19-23-20(27-24-19)18-9-16(26)11-25(18)10-13-3-6-15(21)7-4-13/h2-8,16,18,26H,9-11H2,1H3.

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

1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 387.84 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 74506710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).