5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole

C28H20N2O2 — CID 91675035

IUPAC5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3oc(CCc4nc5cc(-c6ccccc6)ccc5o4)nc3c2)cc1
InChIInChI=1S/C28H20N2O2/c1-3-7-19(8-4-1)21-11-13-25-23(17-21)29-27(31-25)15-16-28-30-24-18-22(12-14-26(24)32-28)20-9-5-2-6-10-20/h1-14,17-18H,15-16H2
InChIKeyGZEQAOBJYXEWOC-UHFFFAOYSA-N
MW416.48 g/mol
LogP7.09
Rot. Bonds5

About 5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole

5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole (PubChem CID 91675035) has the molecular formula C28H20N2O2 and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
PubChem CID91675035
Molecular FormulaC28H20N2O2
Molecular Weight416.48 g/mol
Exact Mass416.15
IUPAC Name5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3oc(CCc4nc5cc(-c6ccccc6)ccc5o4)nc3c2)cc1
InChIInChI=1S/C28H20N2O2/c1-3-7-19(8-4-1)21-11-13-25-23(17-21)29-27(31-25)15-16-28-30-24-18-22(12-14-26(24)32-28)20-9-5-2-6-10-20/h1-14,17-18H,15-16H2
InChIKeyGZEQAOBJYXEWOC-UHFFFAOYSA-N
XLogP7.09
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-phenyl-1,3-benzoxazol-2-yl)methanol
CID 22062842
2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
CID 23468057
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
CID 59968233
5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 135058168
2-(3-methylbutyl)-5-pyridin-4-yl-1,3-benzoxazole
CID 118864102
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
2-[4-(bromomethyl)phenyl]-5-phenyl-1,3-benzoxazole
CID 50850862
[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]boronic acid
CID 44520555
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
4-[2-[2-(dimethylamino)ethyl]-1,3-benzoxazol-5-yl]benzonitrile
CID 11449194

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole?
The IUPAC name of 5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole (CID 91675035) is 5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole.
What is the SMILES notation for 5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole?
The canonical SMILES for 5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole is c1ccc(-c2ccc3oc(CCc4nc5cc(-c6ccccc6)ccc5o4)nc3c2)cc1.
What is the InChIKey of 5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole?
The InChIKey is GZEQAOBJYXEWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O2/c1-3-7-19(8-4-1)21-11-13-25-23(17-21)29-27(31-25)15-16-28-30-24-18-22(12-14-26(24)32-28)20-9-5-2-6-10-20/h1-14,17-18H,15-16H2.
What are the key properties of 5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole?
5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole has a molecular weight of 416.48 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole is sourced from PubChem (CID 91675035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).