2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide

C23H26N8O2 — CID 150636978

About 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide

2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 150636978) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide
• PubChem CID: 150636978
• Molecular Formula: C23H26N8O2
• Molecular Weight: 446.52 g/mol
• Exact Mass: 446.22
• IUPAC Name: 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide
• SMILES: Cc1cc(-c2ncnc(Nc3ccn(C)n3)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)o1
• InChI: InChI=1S/C23H26N8O2/c1-14-10-15(19-26-13-27-22(29-19)28-18-8-9-31(5)30-18)6-7-16(14)11-24-20(32)17-12-25-21(33-17)23(2,3)4/h6-10,12-13H,11H2,1-5H3,(H,24,32)(H,26,27,28,29,30)
• InChIKey: IZCDDZGKZNRZFJ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 123.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.52
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide?

The IUPAC name of 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide (CID 150636978) is 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide?

The canonical SMILES for 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide is Cc1cc(-c2ncnc(Nc3ccn(C)n3)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)o1.

What is the InChIKey of 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide?

The InChIKey is IZCDDZGKZNRZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-14-10-15(19-26-13-27-22(29-19)28-18-8-9-31(5)30-18)6-7-16(14)11-24-20(32)17-12-25-21(33-17)23(2,3)4/h6-10,12-13H,11H2,1-5H3,(H,24,32)(H,26,27,28,29,30).

What are the key properties of 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide?

2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 150636978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).