1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C22H22F3N3O3 — CID 74506672

About 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 74506672) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
• PubChem CID: 74506672
• Molecular Formula: C22H22F3N3O3
• Molecular Weight: 433.43 g/mol
• Exact Mass: 433.16
• IUPAC Name: 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
• SMILES: OC1CC(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(CCCc2ccccc2)C1
• InChI: InChI=1S/C22H22F3N3O3/c23-22(24,25)30-18-10-8-16(9-11-18)20-26-21(31-27-20)19-13-17(29)14-28(19)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19,29H,4,7,12-14H2
• InChIKey: WRQIZGXBCIGTIL-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 71.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.43
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?

The IUPAC name of 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 74506672) is 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

What is the SMILES notation for 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?

The canonical SMILES for 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1CC(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(CCCc2ccccc2)C1.

What is the InChIKey of 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?

The InChIKey is WRQIZGXBCIGTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c23-22(24,25)30-18-10-8-16(9-11-18)20-26-21(31-27-20)19-13-17(29)14-28(19)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19,29H,4,7,12-14H2.

What are the key properties of 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?

1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 433.43 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-phenylpropyl)-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 74506672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).