2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile

C26H22N2O4 — CID 68886242

About 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile

2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile (PubChem CID 68886242) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile.

Molecular Properties

• Compound Name: 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile
• PubChem CID: 68886242
• Molecular Formula: C26H22N2O4
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.16
• IUPAC Name: 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc(O)cc2CC#N)cc1
• InChI: InChI=1S/C26H22N2O4/c1-18-24(28-26(32-18)20-5-3-2-4-6-20)17-30-23-10-7-19(8-11-23)16-31-25-12-9-22(29)15-21(25)13-14-27/h2-12,15,29H,13,16-17H2,1H3
• InChIKey: BRSFMCIUGPIHIG-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 88.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile?

The IUPAC name of 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile (CID 68886242) is 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile.

What is the SMILES notation for 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile?

The canonical SMILES for 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile is Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc(O)cc2CC#N)cc1.

What is the InChIKey of 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile?

The InChIKey is BRSFMCIUGPIHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-18-24(28-26(32-18)20-5-3-2-4-6-20)17-30-23-10-7-19(8-11-23)16-31-25-12-9-22(29)15-21(25)13-14-27/h2-12,15,29H,13,16-17H2,1H3.

What are the key properties of 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile?

2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile has a molecular weight of 426.47 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-hydroxy-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetonitrile is sourced from PubChem (CID 68886242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).