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

C20H18Cl2FN3O2 — CID 74507375

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

5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 74507375) has the molecular formula C20H18Cl2FN3O2 and a molecular weight of 422.29 g/mol. Its IUPAC name is 5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
• PubChem CID: 74507375
• Molecular Formula: C20H18Cl2FN3O2
• Molecular Weight: 422.29 g/mol
• Exact Mass: 421.08
• IUPAC Name: 5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
• SMILES: OC1CC(c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2ccc(Cl)cc2)C1
• InChI: InChI=1S/C20H18Cl2FN3O2/c21-14-4-1-12(2-5-14)10-26-11-16(27)9-18(26)20-24-19(25-28-20)7-13-3-6-15(23)8-17(13)22/h1-6,8,16,18,27H,7,9-11H2
• InChIKey: HAPVETWUYNJWIV-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.29
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol (CID 74507375) is 5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol.

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

The canonical SMILES for 5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol is OC1CC(c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2ccc(Cl)cc2)C1.

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

The InChIKey is HAPVETWUYNJWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O2/c21-14-4-1-12(2-5-14)10-26-11-16(27)9-18(26)20-24-19(25-28-20)7-13-3-6-15(23)8-17(13)22/h1-6,8,16,18,27H,7,9-11H2.

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

5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 422.29 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 74507375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).