5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide

C21H24N6O2 — CID 122287856

About 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122287856) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 122287856
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cnoc3C)cc2)n1
• InChI: InChI=1S/C21H24N6O2/c1-14-12-19(27-10-4-3-5-11-27)26-21(23-14)25-17-8-6-16(7-9-17)24-20(28)18-13-22-29-15(18)2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,28)(H,23,25,26)
• InChIKey: NUJXBCCQHMLMBS-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 96.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide (CID 122287856) is 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cnoc3C)cc2)n1.

What is the InChIKey of 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide?

The InChIKey is NUJXBCCQHMLMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-12-19(27-10-4-3-5-11-27)26-21(23-14)25-17-8-6-16(7-9-17)24-20(28)18-13-22-29-15(18)2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,28)(H,23,25,26).

What are the key properties of 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide?

5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122287856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).