3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide

C21H23F3N4O4 — CID 50837340

About 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide

3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 50837340) has the molecular formula C21H23F3N4O4 and a molecular weight of 452.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 50837340
• Molecular Formula: C21H23F3N4O4
• Molecular Weight: 452.43 g/mol
• Exact Mass: 452.17
• IUPAC Name: 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: O=C(CCC1CCCC1)Nc1nnc(C2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1
• InChI: InChI=1S/C21H23F3N4O4/c22-21(23,24)32-16-8-6-15(7-9-16)28-12-14(11-18(28)30)19-26-27-20(31-19)25-17(29)10-5-13-3-1-2-4-13/h6-9,13-14H,1-5,10-12H2,(H,25,27,29)
• InChIKey: KWWOPZBMWPXWQV-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.43
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide?

The IUPAC name of 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide (CID 50837340) is 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide.

What is the SMILES notation for 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide?

The canonical SMILES for 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCC1CCCC1)Nc1nnc(C2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1.

What is the InChIKey of 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide?

The InChIKey is KWWOPZBMWPXWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O4/c22-21(23,24)32-16-8-6-15(7-9-16)28-12-14(11-18(28)30)19-26-27-20(31-19)25-17(29)10-5-13-3-1-2-4-13/h6-9,13-14H,1-5,10-12H2,(H,25,27,29).

What are the key properties of 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide?

3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 452.43 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 50837340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).