2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one

C23H25N5O4 — CID 86877419

About 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one

2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 86877419) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one
• PubChem CID: 86877419
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one
• SMILES: Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1
• InChI: InChI=1S/C23H25N5O4/c1-16-19(17(2)32-25-16)14-22(30)26-10-12-27(13-11-26)23(31)20-8-9-21(29)28(24-20)15-18-6-4-3-5-7-18/h3-9H,10-15H2,1-2H3
• InChIKey: JFPDBXYFDBWDLU-UHFFFAOYSA-N
• XLogP: 1.42
• TPSA: 101.54 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one?

The IUPAC name of 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one (CID 86877419) is 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one.

What is the SMILES notation for 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one?

The canonical SMILES for 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one is Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1.

What is the InChIKey of 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one?

The InChIKey is JFPDBXYFDBWDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-16-19(17(2)32-25-16)14-22(30)26-10-12-27(13-11-26)23(31)20-8-9-21(29)28(24-20)15-18-6-4-3-5-7-18/h3-9H,10-15H2,1-2H3.

What are the key properties of 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one?

2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 435.48 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 86877419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).