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

C26H26N6O2 — CID 122295885

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

N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 122295885) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
• PubChem CID: 122295885
• Molecular Formula: C26H26N6O2
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.21
• IUPAC Name: N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(Nc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)nc(N2CCCCC2)n1
• InChI: InChI=1S/C26H26N6O2/c1-18-16-24(30-26(27-18)32-14-6-3-7-15-32)28-20-10-12-21(13-11-20)29-25(33)22-17-23(34-31-22)19-8-4-2-5-9-19/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3,(H,29,33)(H,27,28,30)
• InChIKey: RVRQMFZTEGHYCP-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 96.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 122295885) is N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1cc(Nc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)nc(N2CCCCC2)n1.

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

The InChIKey is RVRQMFZTEGHYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-18-16-24(30-26(27-18)32-14-6-3-7-15-32)28-20-10-12-21(13-11-20)29-25(33)22-17-23(34-31-22)19-8-4-2-5-9-19/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3,(H,29,33)(H,27,28,30).

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

N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122295885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).