2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone

C18H21N5O2 — CID 91840708

About 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone

2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 91840708) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone
• PubChem CID: 91840708
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone
• SMILES: Cc1cc(N)n(CC(=O)N2CCCC(c3nc4ccccc4o3)C2)n1
• InChI: InChI=1S/C18H21N5O2/c1-12-9-16(19)23(21-12)11-17(24)22-8-4-5-13(10-22)18-20-14-6-2-3-7-15(14)25-18/h2-3,6-7,9,13H,4-5,8,10-11,19H2,1H3
• InChIKey: NPJRTGJNKDAZGU-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 90.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone?

The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone (CID 91840708) is 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone is Cc1cc(N)n(CC(=O)N2CCCC(c3nc4ccccc4o3)C2)n1.

What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone?

The InChIKey is NPJRTGJNKDAZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-9-16(19)23(21-12)11-17(24)22-8-4-5-13(10-22)18-20-14-6-2-3-7-15(14)25-18/h2-3,6-7,9,13H,4-5,8,10-11,19H2,1H3.

What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone?

2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 339.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91840708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).