N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide

C32H28N4O5 — CID 91356412

About N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide

N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide (PubChem CID 91356412) has the molecular formula C32H28N4O5 and a molecular weight of 548.60 g/mol. Its IUPAC name is N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
• PubChem CID: 91356412
• Molecular Formula: C32H28N4O5
• Molecular Weight: 548.60 g/mol
• Exact Mass: 548.21
• IUPAC Name: N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide
• SMILES: O=C(COc1ccc(-c2nnc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)o2)cc1)NCc1ccccc1
• InChI: InChI=1S/C32H28N4O5/c37-29(33-19-23-7-3-1-4-8-23)21-39-27-15-11-25(12-16-27)31-35-36-32(41-31)26-13-17-28(18-14-26)40-22-30(38)34-20-24-9-5-2-6-10-24/h1-18H,19-22H2,(H,33,37)(H,34,38)
• InChIKey: AHWVWYINGNGRTP-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 115.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.60
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide?

The IUPAC name of N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide (CID 91356412) is N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide.

What is the SMILES notation for N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide?

The canonical SMILES for N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide is O=C(COc1ccc(-c2nnc(-c3ccc(OCC(=O)NCc4ccccc4)cc3)o2)cc1)NCc1ccccc1.

What is the InChIKey of N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide?

The InChIKey is AHWVWYINGNGRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O5/c37-29(33-19-23-7-3-1-4-8-23)21-39-27-15-11-25(12-16-27)31-35-36-32(41-31)26-13-17-28(18-14-26)40-22-30(38)34-20-24-9-5-2-6-10-24/h1-18H,19-22H2,(H,33,37)(H,34,38).

What are the key properties of N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide?

N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide has a molecular weight of 548.60 g/mol, XLogP of 4.79, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[4-[5-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]acetamide is sourced from PubChem (CID 91356412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).