N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C25H20FN5O3 — CID 165117378

About N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 165117378) has the molecular formula C25H20FN5O3 and a molecular weight of 457.47 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• PubChem CID: 165117378
• Molecular Formula: C25H20FN5O3
• Molecular Weight: 457.47 g/mol
• Exact Mass: 457.16
• IUPAC Name: N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• SMILES: O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1
• InChI: InChI=1S/C25H20FN5O3/c26-20-7-3-17(4-8-20)23-29-25(34-30-23)18-5-9-21(10-6-18)28-24(33)19-12-22(32)31(15-19)14-16-2-1-11-27-13-16/h1-11,13,19H,12,14-15H2,(H,28,33)
• InChIKey: WLVHLYHTUFAIRF-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.47
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?

The IUPAC name of N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 165117378) is N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?

The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)C1CC(=O)N(Cc2cccnc2)C1.

What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?

The InChIKey is WLVHLYHTUFAIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O3/c26-20-7-3-17(4-8-20)23-29-25(34-30-23)18-5-9-21(10-6-18)28-24(33)19-12-22(32)31(15-19)14-16-2-1-11-27-13-16/h1-11,13,19H,12,14-15H2,(H,28,33).

What are the key properties of N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?

N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 165117378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).