2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole

C27H19NO2 — CID 5240283

IUPAC2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
SMILESC(=Cc1nc2cc(-c3ccccc3)ccc2o1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H19NO2/c1-3-9-21(10-4-1)22-15-16-26-25(19-22)28-27(30-26)17-14-20-8-7-13-24(18-20)29-23-11-5-2-6-12-23/h1-19H
InChIKeyMBBOQWBZOOYGLJ-UHFFFAOYSA-N
MW389.45 g/mol
LogP7.46
Rot. Bonds5

About 2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole

2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole (PubChem CID 5240283) has the molecular formula C27H19NO2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
PubChem CID5240283
Molecular FormulaC27H19NO2
Molecular Weight389.45 g/mol
Exact Mass389.14
IUPAC Name2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
SMILESC(=Cc1nc2cc(-c3ccccc3)ccc2o1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H19NO2/c1-3-9-21(10-4-1)22-15-16-26-25(19-22)28-27(30-26)17-14-20-8-7-13-24(18-20)29-23-11-5-2-6-12-23/h1-19H
InChIKeyMBBOQWBZOOYGLJ-UHFFFAOYSA-N
XLogP7.46
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
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
5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 6006710
N,N-dimethyl-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3723624
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083407
N-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]acetamide
CID 8860520
2-[(E)-2-(2-nitrophenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 16554443
5-methyl-2-[(Z)-2-phenylethenyl]-1,3-benzoxazole
CID 95479673
5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 52643423
N-methyl-2-nitro-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 22829716

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
The IUPAC name of 2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole (CID 5240283) is 2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole is C(=Cc1nc2cc(-c3ccccc3)ccc2o1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
The InChIKey is MBBOQWBZOOYGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO2/c1-3-9-21(10-4-1)22-15-16-26-25(19-22)28-27(30-26)17-14-20-8-7-13-24(18-20)29-23-11-5-2-6-12-23/h1-19H.
What are the key properties of 2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole?
2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole has a molecular weight of 389.45 g/mol, XLogP of 7.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole is sourced from PubChem (CID 5240283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).