3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide

C18H19N5O5 — CID 113051733

About 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide

3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide (PubChem CID 113051733) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
• PubChem CID: 113051733
• Molecular Formula: C18H19N5O5
• Molecular Weight: 385.38 g/mol
• Exact Mass: 385.14
• IUPAC Name: 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
• SMILES: COc1cc(C(=O)Nc2ccc(Nc3cc(C)on3)nn2)cc(OC)c1OC
• InChI: InChI=1S/C18H19N5O5/c1-10-7-16(23-28-10)19-14-5-6-15(22-21-14)20-18(24)11-8-12(25-2)17(27-4)13(9-11)26-3/h5-9H,1-4H3,(H,19,21,23)(H,20,22,24)
• InChIKey: GCUBACONLCWQIM-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 120.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.38
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?

The IUPAC name of 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide (CID 113051733) is 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide.

What is the SMILES notation for 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?

The canonical SMILES for 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide is COc1cc(C(=O)Nc2ccc(Nc3cc(C)on3)nn2)cc(OC)c1OC.

What is the InChIKey of 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?

The InChIKey is GCUBACONLCWQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-10-7-16(23-28-10)19-14-5-6-15(22-21-14)20-18(24)11-8-12(25-2)17(27-4)13(9-11)26-3/h5-9H,1-4H3,(H,19,21,23)(H,20,22,24).

What are the key properties of 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide?

3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide has a molecular weight of 385.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113051733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).