(3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C16H18F3N3O2 — CID 129480227

About (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol

(3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 129480227) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
• PubChem CID: 129480227
• Molecular Formula: C16H18F3N3O2
• Molecular Weight: 341.33 g/mol
• Exact Mass: 341.14
• IUPAC Name: (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
• SMILES: CCc1nnc(CN2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)o1
• InChI: InChI=1S/C16H18F3N3O2/c1-2-14-20-21-15(24-14)9-22-8-10(23)7-13(22)11-5-3-4-6-12(11)16(17,18)19/h3-6,10,13,23H,2,7-9H2,1H3/t10-,13-/m0/s1
• InChIKey: UNNQUXFRWYYGDG-GWCFXTLKSA-N
• XLogP: 2.96
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.33
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?

The IUPAC name of (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 129480227) is (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

What is the SMILES notation for (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?

The canonical SMILES for (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is CCc1nnc(CN2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)o1.

What is the InChIKey of (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?

The InChIKey is UNNQUXFRWYYGDG-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-2-14-20-21-15(24-14)9-22-8-10(23)7-13(22)11-5-3-4-6-12(11)16(17,18)19/h3-6,10,13,23H,2,7-9H2,1H3/t10-,13-/m0/s1.

What are the key properties of (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol?

(3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 341.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 129480227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).