3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

C19H28N6O2 — CID 136517389

About 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea (PubChem CID 136517389) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea.

Molecular Properties

• Compound Name: 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
• PubChem CID: 136517389
• Molecular Formula: C19H28N6O2
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.23
• IUPAC Name: 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
• SMILES: Cc1noc(C)c1C(C)CNC(=O)N(C)C1CCCN(c2cccnn2)C1
• InChI: InChI=1S/C19H28N6O2/c1-13(18-14(2)23-27-15(18)3)11-20-19(26)24(4)16-7-6-10-25(12-16)17-8-5-9-21-22-17/h5,8-9,13,16H,6-7,10-12H2,1-4H3,(H,20,26)
• InChIKey: YNKBMVIMGZAAMJ-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea?

The IUPAC name of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea (CID 136517389) is 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea.

What is the SMILES notation for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea?

The canonical SMILES for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea is Cc1noc(C)c1C(C)CNC(=O)N(C)C1CCCN(c2cccnn2)C1.

What is the InChIKey of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea?

The InChIKey is YNKBMVIMGZAAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-13(18-14(2)23-27-15(18)3)11-20-19(26)24(4)16-7-6-10-25(12-16)17-8-5-9-21-22-17/h5,8-9,13,16H,6-7,10-12H2,1-4H3,(H,20,26).

What are the key properties of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea?

3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea has a molecular weight of 372.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea is sourced from PubChem (CID 136517389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).