4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile

C24H23N5O3 — CID 146481763

About 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile

4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile (PubChem CID 146481763) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile
• PubChem CID: 146481763
• Molecular Formula: C24H23N5O3
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.18
• IUPAC Name: 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile
• SMILES: Cc1cc(-c2ncc(CN3CCN[C@H](c4ccc5c(c4C)COC5=O)C3)o2)ncc1C#N
• InChI: InChI=1S/C24H23N5O3/c1-14-7-21(27-9-16(14)8-25)23-28-10-17(32-23)11-29-6-5-26-22(12-29)18-3-4-19-20(15(18)2)13-31-24(19)30/h3-4,7,9-10,22,26H,5-6,11-13H2,1-2H3/t22-/m0/s1
• InChIKey: IYNUMCWIASHAML-QFIPXVFZSA-N
• XLogP: 3.04
• TPSA: 104.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile?

The IUPAC name of 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile (CID 146481763) is 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile?

The canonical SMILES for 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile is Cc1cc(-c2ncc(CN3CCN[C@H](c4ccc5c(c4C)COC5=O)C3)o2)ncc1C#N.

What is the InChIKey of 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile?

The InChIKey is IYNUMCWIASHAML-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-7-21(27-9-16(14)8-25)23-28-10-17(32-23)11-29-6-5-26-22(12-29)18-3-4-19-20(15(18)2)13-31-24(19)30/h3-4,7,9-10,22,26H,5-6,11-13H2,1-2H3/t22-/m0/s1.

What are the key properties of 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile?

4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 429.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-6-[5-[[(3R)-3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)piperazin-1-yl]methyl]-1,3-oxazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 146481763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).