2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide

C25H29N5O3 — CID 46446055

About 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide

2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide (PubChem CID 46446055) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide
• PubChem CID: 46446055
• Molecular Formula: C25H29N5O3
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.23
• IUPAC Name: 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide
• SMILES: Cc1ccccc1C(=O)NCCC(=O)N1CCN(C(C)c2nc(-c3ccccc3)no2)CC1
• InChI: InChI=1S/C25H29N5O3/c1-18-8-6-7-11-21(18)24(32)26-13-12-22(31)30-16-14-29(15-17-30)19(2)25-27-23(28-33-25)20-9-4-3-5-10-20/h3-11,19H,12-17H2,1-2H3,(H,26,32)
• InChIKey: OVFPOORANRGIGI-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide?

The IUPAC name of 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide (CID 46446055) is 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide.

What is the SMILES notation for 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide?

The canonical SMILES for 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)N1CCN(C(C)c2nc(-c3ccccc3)no2)CC1.

What is the InChIKey of 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide?

The InChIKey is OVFPOORANRGIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-18-8-6-7-11-21(18)24(32)26-13-12-22(31)30-16-14-29(15-17-30)19(2)25-27-23(28-33-25)20-9-4-3-5-10-20/h3-11,19H,12-17H2,1-2H3,(H,26,32).

What are the key properties of 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide?

2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-oxo-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 46446055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).