4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

C27H19N7O2 — CID 25124216

About 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 25124216) has the molecular formula C27H19N7O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• PubChem CID: 25124216
• Molecular Formula: C27H19N7O2
• Molecular Weight: 473.50 g/mol
• Exact Mass: 473.16
• IUPAC Name: 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• SMILES: Cc1ccc(NC(=O)c2ccc(-c3cnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C27H19N7O2/c1-17-4-9-21(13-23(17)34-27-30-12-10-22(33-27)20-3-2-11-29-15-20)32-26(35)19-7-5-18(6-8-19)24-16-31-25(14-28)36-24/h2-13,15-16H,1H3,(H,32,35)(H,30,33,34)
• InChIKey: OVRLOWIHPRURRE-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 129.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.50
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?

The IUPAC name of 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 25124216) is 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.

What is the SMILES notation for 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?

The canonical SMILES for 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(-c3cnc(C#N)o3)cc2)cc1Nc1nccc(-c2cccnc2)n1.

What is the InChIKey of 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?

The InChIKey is OVRLOWIHPRURRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N7O2/c1-17-4-9-21(13-23(17)34-27-30-12-10-22(33-27)20-3-2-11-29-15-20)32-26(35)19-7-5-18(6-8-19)24-16-31-25(14-28)36-24/h2-13,15-16H,1H3,(H,32,35)(H,30,33,34).

What are the key properties of 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?

4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 473.50 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 25124216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).