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

C34H34N8O3 — CID 135250764

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

2-[5-[2,6-bis[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 135250764) has the molecular formula C34H34N8O3 and a molecular weight of 602.70 g/mol. Its IUPAC name is 2-[5-[2,6-bis[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[5-[2,6-bis[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
• PubChem CID: 135250764
• Molecular Formula: C34H34N8O3
• Molecular Weight: 602.70 g/mol
• Exact Mass: 602.28
• IUPAC Name: 2-[5-[2,6-bis[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
• SMILES: CC1(C)CN=C(c2cncc(-c3cc(-c4cncc(C5=NCC(C)(C)O5)c4)nc(-c4cncc(C5=NCC(C)(C)O5)c4)n3)c2)O1
• InChI: InChI=1S/C34H34N8O3/c1-32(2)17-38-29(43-32)23-7-20(11-35-14-23)26-10-27(21-8-24(15-36-12-21)30-39-18-33(3,4)44-30)42-28(41-26)22-9-25(16-37-13-22)31-40-19-34(5,6)45-31/h7-16H,17-19H2,1-6H3
• InChIKey: BPDKGERFSGEXMU-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 129.22 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	602.70
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[5-[2,6-bis[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (CID 135250764) is 2-[5-[2,6-bis[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

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

The canonical SMILES for 2-[5-[2,6-bis[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2cncc(-c3cc(-c4cncc(C5=NCC(C)(C)O5)c4)nc(-c4cncc(C5=NCC(C)(C)O5)c4)n3)c2)O1.

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

The InChIKey is BPDKGERFSGEXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8O3/c1-32(2)17-38-29(43-32)23-7-20(11-35-14-23)26-10-27(21-8-24(15-36-12-21)30-39-18-33(3,4)44-30)42-28(41-26)22-9-25(16-37-13-22)31-40-19-34(5,6)45-31/h7-16H,17-19H2,1-6H3.

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

2-[5-[2,6-bis[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 602.70 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2,6-bis[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 135250764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).