N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide

C21H23N5O3 — CID 120839869

About N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide

N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 120839869) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
• PubChem CID: 120839869
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
• SMILES: O=C(NCCc1nc(-c2ccc(OCc3cccnc3)cc2)no1)C1CCCN1
• InChI: InChI=1S/C21H23N5O3/c27-21(18-4-2-11-23-18)24-12-9-19-25-20(26-29-19)16-5-7-17(8-6-16)28-14-15-3-1-10-22-13-15/h1,3,5-8,10,13,18,23H,2,4,9,11-12,14H2,(H,24,27)
• InChIKey: ZNODQGMTVVXIPY-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 102.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide (CID 120839869) is N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1nc(-c2ccc(OCc3cccnc3)cc2)no1)C1CCCN1.

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

The InChIKey is ZNODQGMTVVXIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-21(18-4-2-11-23-18)24-12-9-19-25-20(26-29-19)16-5-7-17(8-6-16)28-14-15-3-1-10-22-13-15/h1,3,5-8,10,13,18,23H,2,4,9,11-12,14H2,(H,24,27).

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

N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[4-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120839869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).