2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide

C20H26N4O3 — CID 51269825

About 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide

2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 51269825) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
• PubChem CID: 51269825
• Molecular Formula: C20H26N4O3
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.20
• IUPAC Name: 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
• SMILES: Cc1cc(CN2CCN(C(=O)CCNC(=O)c3ccccc3C)CC2)on1
• InChI: InChI=1S/C20H26N4O3/c1-15-5-3-4-6-18(15)20(26)21-8-7-19(25)24-11-9-23(10-12-24)14-17-13-16(2)22-27-17/h3-6,13H,7-12,14H2,1-2H3,(H,21,26)
• InChIKey: FJJOMFJBJOLFFK-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 78.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide?

The IUPAC name of 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide (CID 51269825) is 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide.

What is the SMILES notation for 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide?

The canonical SMILES for 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide is Cc1cc(CN2CCN(C(=O)CCNC(=O)c3ccccc3C)CC2)on1.

What is the InChIKey of 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide?

The InChIKey is FJJOMFJBJOLFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15-5-3-4-6-18(15)20(26)21-8-7-19(25)24-11-9-23(10-12-24)14-17-13-16(2)22-27-17/h3-6,13H,7-12,14H2,1-2H3,(H,21,26).

What are the key properties of 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide?

2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 51269825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).