5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide

C23H26N6O2 — CID 122287839

About 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 122287839) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 122287839
• Molecular Formula: C23H26N6O2
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.21
• IUPAC Name: 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cc(C4CC4)on3)cc2)n1
• InChI: InChI=1S/C23H26N6O2/c1-15-13-21(29-11-3-2-4-12-29)27-23(24-15)26-18-9-7-17(8-10-18)25-22(30)19-14-20(31-28-19)16-5-6-16/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,25,30)(H,24,26,27)
• InChIKey: VVCVQKMXXXBAGA-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 96.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide (CID 122287839) is 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cc(C4CC4)on3)cc2)n1.

What is the InChIKey of 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is VVCVQKMXXXBAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-13-21(29-11-3-2-4-12-29)27-23(24-15)26-18-9-7-17(8-10-18)25-22(30)19-14-20(31-28-19)16-5-6-16/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,25,30)(H,24,26,27).

What are the key properties of 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide?

5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122287839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).