2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole

C23H17F2NO — CID 12056637

IUPAC2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(/C=C/c3ccccc3)cc2)CO1
InChIInChI=1S/C23H17F2NO/c24-19-7-4-8-20(25)22(19)23-26-21(15-27-23)18-13-11-17(12-14-18)10-9-16-5-2-1-3-6-16/h1-14,21H,15H2/b10-9+
InChIKeyITYIIUPTDCJJET-MDZDMXLPSA-N
MW361.39 g/mol
LogP5.65
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 12056637) has the molecular formula C23H17F2NO and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID12056637
Molecular FormulaC23H17F2NO
Molecular Weight361.39 g/mol
Exact Mass361.13
IUPAC Name2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2ccc(/C=C/c3ccccc3)cc2)CO1
InChIInChI=1S/C23H17F2NO/c24-19-7-4-8-20(25)22(19)23-26-21(15-27-23)18-13-11-17(12-14-18)10-9-16-5-2-1-3-6-16/h1-14,21H,15H2/b10-9+
InChIKeyITYIIUPTDCJJET-MDZDMXLPSA-N
XLogP5.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.65
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-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 12056637) is 2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2ccc(/C=C/c3ccccc3)cc2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ITYIIUPTDCJJET-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H17F2NO/c24-19-7-4-8-20(25)22(19)23-26-21(15-27-23)18-13-11-17(12-14-18)10-9-16-5-2-1-3-6-16/h1-14,21H,15H2/b10-9+.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 361.39 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12056637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).