2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol

C33H26N2O2 — CID 164742615

About 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol

2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol (PubChem CID 164742615) has the molecular formula C33H26N2O2 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
• PubChem CID: 164742615
• Molecular Formula: C33H26N2O2
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.20
• IUPAC Name: 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
• SMILES: CC(C)(c1ccccc1)c1cc(-c2ccccn2)cc(-c2cccc3oc(-c4ccccc4O)nc23)c1
• InChI: InChI=1S/C33H26N2O2/c1-33(2,24-11-4-3-5-12-24)25-20-22(19-23(21-25)28-15-8-9-18-34-28)26-14-10-17-30-31(26)35-32(37-30)27-13-6-7-16-29(27)36/h3-21,36H,1-2H3
• InChIKey: WHOOOLJVRNBDPO-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol?

The IUPAC name of 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol (CID 164742615) is 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol.

What is the SMILES notation for 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol?

The canonical SMILES for 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol is CC(C)(c1ccccc1)c1cc(-c2ccccn2)cc(-c2cccc3oc(-c4ccccc4O)nc23)c1.

What is the InChIKey of 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol?

The InChIKey is WHOOOLJVRNBDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2O2/c1-33(2,24-11-4-3-5-12-24)25-20-22(19-23(21-25)28-15-8-9-18-34-28)26-14-10-17-30-31(26)35-32(37-30)27-13-6-7-16-29(27)36/h3-21,36H,1-2H3.

What are the key properties of 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol?

2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol has a molecular weight of 482.58 g/mol, XLogP of 8.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 164742615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).