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

C21H15NO — CID 6139123

IUPAC5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
SMILESC(=C/c1nc2cc(-c3ccccc3)ccc2o1)\c1ccccc1
InChIInChI=1S/C21H15NO/c1-3-7-16(8-4-1)11-14-21-22-19-15-18(12-13-20(19)23-21)17-9-5-2-6-10-17/h1-15H/b14-11+
InChIKeyFOFDUOMDOUWBAI-SDNWHVSQSA-N
MW297.36 g/mol
LogP5.67
Rot. Bonds3

About 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole

5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole (PubChem CID 6139123) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
PubChem CID6139123
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
SMILESC(=C/c1nc2cc(-c3ccccc3)ccc2o1)\c1ccccc1
InChIInChI=1S/C21H15NO/c1-3-7-16(8-4-1)11-14-21-22-19-15-18(12-13-20(19)23-21)17-9-5-2-6-10-17/h1-15H/b14-11+
InChIKeyFOFDUOMDOUWBAI-SDNWHVSQSA-N
XLogP5.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-phenylethenyl]-5-pyridin-3-yl-1,3-benzoxazole
CID 23025902
2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 4222558
2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
N,N-dimethyl-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3723624
2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 5240283
N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide
CID 8860520
5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 6006710
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
2-[(E)-2-(2-nitrophenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 16554443
N-methyl-2-nitro-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 22829716
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 59970333

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole?
The IUPAC name of 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole (CID 6139123) is 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole?
The canonical SMILES for 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole is C(=C/c1nc2cc(-c3ccccc3)ccc2o1)\c1ccccc1.
What is the InChIKey of 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole?
The InChIKey is FOFDUOMDOUWBAI-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H15NO/c1-3-7-16(8-4-1)11-14-21-22-19-15-18(12-13-20(19)23-21)17-9-5-2-6-10-17/h1-15H/b14-11+.
What are the key properties of 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole?
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole has a molecular weight of 297.36 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole is sourced from PubChem (CID 6139123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).