2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole

C27H19NO — CID 70587821

IUPAC2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole
SMILESC(=C/c1ccccc1-c1ccccc1-c1nc2ccccc2o1)\c1ccccc1
InChIInChI=1S/C27H19NO/c1-2-10-20(11-3-1)18-19-21-12-4-5-13-22(21)23-14-6-7-15-24(23)27-28-25-16-8-9-17-26(25)29-27/h1-19H/b19-18+
InChIKeyIMFXJPLQVMDXFH-VHEBQXMUSA-N
MW373.46 g/mol
LogP7.33
Rot. Bonds4

About 2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole

2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole (PubChem CID 70587821) has the molecular formula C27H19NO and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole
PubChem CID70587821
Molecular FormulaC27H19NO
Molecular Weight373.46 g/mol
Exact Mass373.15
IUPAC Name2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole
SMILESC(=C/c1ccccc1-c1ccccc1-c1nc2ccccc2o1)\c1ccccc1
InChIInChI=1S/C27H19NO/c1-2-10-20(11-3-1)18-19-21-12-4-5-13-22(21)23-14-6-7-15-24(23)27-28-25-16-8-9-17-26(25)29-27/h1-19H/b19-18+
InChIKeyIMFXJPLQVMDXFH-VHEBQXMUSA-N
XLogP7.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,3-benzoxazol-2-yl)-3-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 66632970
4-aminobenzoic acid;2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 175306956
5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 67188632
4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole
CID 22377866
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3-benzoxazole
CID 154207991
4-[2-(1,3-benzoxazol-2-yl)phenyl]benzaldehyde
CID 90680934
4-[(E)-2-[3-(1,3-benzoxazol-2-yl)-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline
CID 12597871
[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl] hydrogen carbonate
CID 70586755
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
[2-(1,3-benzoxazol-2-yl)phenyl]iminoazanide;zinc
CID 155109070

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole (CID 70587821) is 2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole is C(=C/c1ccccc1-c1ccccc1-c1nc2ccccc2o1)\c1ccccc1.
What is the InChIKey of 2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is IMFXJPLQVMDXFH-VHEBQXMUSA-N. The full InChI is InChI=1S/C27H19NO/c1-2-10-20(11-3-1)18-19-21-12-4-5-13-22(21)23-14-6-7-15-24(23)27-28-25-16-8-9-17-26(25)29-27/h1-19H/b19-18+.
What are the key properties of 2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole?
2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 373.46 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(E)-2-phenylethenyl]phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 70587821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).