2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole

C24H17F2NO — CID 24830787

IUPAC2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(/C=C/c2c(F)cccc2F)cc1
InChIInChI=1S/C24H17F2NO/c1-16-5-9-19(24-27-13-14-28-24)15-21(16)18-10-6-17(7-11-18)8-12-20-22(25)3-2-4-23(20)26/h2-15H,1H3/b12-8+
InChIKeyBXZBMSVYABPHMK-XYOKQWHBSA-N
MW373.40 g/mol
LogP6.77
Rot. Bonds4

About 2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole

2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole (PubChem CID 24830787) has the molecular formula C24H17F2NO and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole
PubChem CID24830787
Molecular FormulaC24H17F2NO
Molecular Weight373.40 g/mol
Exact Mass373.13
IUPAC Name2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(/C=C/c2c(F)cccc2F)cc1
InChIInChI=1S/C24H17F2NO/c1-16-5-9-19(24-27-13-14-28-24)15-21(16)18-10-6-17(7-11-18)8-12-20-22(25)3-2-4-23(20)26/h2-15H,1H3/b12-8+
InChIKeyBXZBMSVYABPHMK-XYOKQWHBSA-N
XLogP6.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.40
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole?
The IUPAC name of 2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole (CID 24830787) is 2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole?
The canonical SMILES for 2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole is Cc1ccc(-c2ncco2)cc1-c1ccc(/C=C/c2c(F)cccc2F)cc1.
What is the InChIKey of 2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole?
The InChIKey is BXZBMSVYABPHMK-XYOKQWHBSA-N. The full InChI is InChI=1S/C24H17F2NO/c1-16-5-9-19(24-27-13-14-28-24)15-21(16)18-10-6-17(7-11-18)8-12-20-22(25)3-2-4-23(20)26/h2-15H,1H3/b12-8+.
What are the key properties of 2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole?
2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole has a molecular weight of 373.40 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(E)-2-(2,6-difluorophenyl)ethenyl]phenyl]-4-methylphenyl]-1,3-oxazole is sourced from PubChem (CID 24830787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).