2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

C36H32N6O2 — CID 135250609

About 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250609) has the molecular formula C36H32N6O2 and a molecular weight of 580.69 g/mol. Its IUPAC name is 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
• PubChem CID: 135250609
• Molecular Formula: C36H32N6O2
• Molecular Weight: 580.69 g/mol
• Exact Mass: 580.26
• IUPAC Name: 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
• SMILES: CC1(C)COC(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)CO5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)=N1
• InChI: InChI=1S/C36H32N6O2/c1-35(2)21-43-33(41-35)28-14-26(17-37-19-28)30-16-31(27-15-29(20-38-18-27)34-42-36(3,4)22-44-34)40-32(39-30)25-12-10-24(11-13-25)23-8-6-5-7-9-23/h5-20H,21-22H2,1-4H3
• InChIKey: DNPRUGZVIPOBBO-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 94.74 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.69
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

The IUPAC name of 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250609) is 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

What is the SMILES notation for 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

The canonical SMILES for 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cncc(-c3cc(-c4cncc(C5=NC(C)(C)CO5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)=N1.

What is the InChIKey of 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

The InChIKey is DNPRUGZVIPOBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6O2/c1-35(2)21-43-33(41-35)28-14-26(17-37-19-28)30-16-31(27-15-29(20-38-18-27)34-42-36(3,4)22-44-34)40-32(39-30)25-12-10-24(11-13-25)23-8-6-5-7-9-23/h5-20H,21-22H2,1-4H3.

What are the key properties of 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 580.69 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).