N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

C25H30N4O3 — CID 55691550

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (PubChem CID 55691550) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.

Molecular Properties

• Compound Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
• PubChem CID: 55691550
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
• SMILES: COc1ccccc1C(CNC(=O)CCCc1nnc(-c2ccccc2)o1)N1CCCC1
• InChI: InChI=1S/C25H30N4O3/c1-31-22-13-6-5-12-20(22)21(29-16-7-8-17-29)18-26-23(30)14-9-15-24-27-28-25(32-24)19-10-3-2-4-11-19/h2-6,10-13,21H,7-9,14-18H2,1H3,(H,26,30)
• InChIKey: QTYGXVXUUUOOHS-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?

The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (CID 55691550) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.

What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?

The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is COc1ccccc1C(CNC(=O)CCCc1nnc(-c2ccccc2)o1)N1CCCC1.

What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?

The InChIKey is QTYGXVXUUUOOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-31-22-13-6-5-12-20(22)21(29-16-7-8-17-29)18-26-23(30)14-9-15-24-27-28-25(32-24)19-10-3-2-4-11-19/h2-6,10-13,21H,7-9,14-18H2,1H3,(H,26,30).

What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide has a molecular weight of 434.54 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is sourced from PubChem (CID 55691550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).