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

C37H33N5O2 — CID 135250583

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

2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250583) has the molecular formula C37H33N5O2 and a molecular weight of 579.70 g/mol. Its IUPAC name is 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-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]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
• PubChem CID: 135250583
• Molecular Formula: C37H33N5O2
• Molecular Weight: 579.70 g/mol
• Exact Mass: 579.26
• IUPAC Name: 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
• SMILES: CC1(C)COC(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cncc(C5=NC(C)(C)CO5)c4)n3)c2)=N1
• InChI: InChI=1S/C37H33N5O2/c1-36(2)22-43-34(41-36)30-14-28(18-38-20-30)32-16-27(26-12-10-25(11-13-26)24-8-6-5-7-9-24)17-33(40-32)29-15-31(21-39-19-29)35-42-37(3,4)23-44-35/h5-21H,22-23H2,1-4H3
• InChIKey: HUWQEMHNVGZHBK-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 81.85 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.70
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-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]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250583) is 2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-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]-4-(4-phenylphenyl)-2-pyridinyl]-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]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cncc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cncc(C5=NC(C)(C)CO5)c4)n3)c2)=N1.

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

The InChIKey is HUWQEMHNVGZHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N5O2/c1-36(2)22-43-34(41-36)30-14-28(18-38-20-30)32-16-27(26-12-10-25(11-13-26)24-8-6-5-7-9-24)17-33(40-32)29-15-31(21-39-19-29)35-42-37(3,4)23-44-35/h5-21H,22-23H2,1-4H3.

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

2-[5-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 579.70 g/mol, XLogP of 7.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).