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

C19H17ClFN3O2 — CID 74507212

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

1-[(4-chlorophenyl)methyl]-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 74507212) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
• PubChem CID: 74507212
• Molecular Formula: C19H17ClFN3O2
• Molecular Weight: 373.82 g/mol
• Exact Mass: 373.10
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
• SMILES: OC1CC(c2nc(-c3ccc(F)cc3)no2)N(Cc2ccc(Cl)cc2)C1
• InChI: InChI=1S/C19H17ClFN3O2/c20-14-5-1-12(2-6-14)10-24-11-16(25)9-17(24)19-22-18(23-26-19)13-3-7-15(21)8-4-13/h1-8,16-17,25H,9-11H2
• InChIKey: SDIUYVUBCHWKEZ-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.82
LogP ≤ 5	3.84
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-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?

The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 74507212) is 1-[(4-chlorophenyl)methyl]-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

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

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1CC(c2nc(-c3ccc(F)cc3)no2)N(Cc2ccc(Cl)cc2)C1.

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

The InChIKey is SDIUYVUBCHWKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c20-14-5-1-12(2-6-14)10-24-11-16(25)9-17(24)19-22-18(23-26-19)13-3-7-15(21)8-4-13/h1-8,16-17,25H,9-11H2.

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

1-[(4-chlorophenyl)methyl]-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 373.82 g/mol, XLogP of 3.84, 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-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 74507212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).