5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole

C26H20N2O2 — CID 14876248

About 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole

5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole (PubChem CID 14876248) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
• PubChem CID: 14876248
• Molecular Formula: C26H20N2O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.15
• IUPAC Name: 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
• SMILES: Cc1ccc2oc(/C=C/c3ccc(/C=C/c4nc5cc(C)ccc5o4)cc3)nc2c1
• InChI: InChI=1S/C26H20N2O2/c1-17-3-11-23-21(15-17)27-25(29-23)13-9-19-5-7-20(8-6-19)10-14-26-28-22-16-18(2)4-12-24(22)30-26/h3-16H,1-2H3/b13-9+,14-10+
• InChIKey: AAWLYTAIQBIUCG-UTLPMFLDSA-N
• XLogP: 6.93
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?

The IUPAC name of 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole (CID 14876248) is 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole.

What is the SMILES notation for 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?

The canonical SMILES for 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole is Cc1ccc2oc(/C=C/c3ccc(/C=C/c4nc5cc(C)ccc5o4)cc3)nc2c1.

What is the InChIKey of 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?

The InChIKey is AAWLYTAIQBIUCG-UTLPMFLDSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-17-3-11-23-21(15-17)27-25(29-23)13-9-19-5-7-20(8-6-19)10-14-26-28-22-16-18(2)4-12-24(22)30-26/h3-16H,1-2H3/b13-9+,14-10+.

What are the key properties of 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole?

5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole has a molecular weight of 392.46 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 14876248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).