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

C23H16F3NO — CID 19080131

IUPAC2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(/C=C/c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C23H16F3NO/c24-18-12-8-16(9-13-18)5-4-15-6-10-17(11-7-15)21-14-28-23(27-21)22-19(25)2-1-3-20(22)26/h1-13,21H,14H2/b5-4+
InChIKeyWRFCVERTEHSBNM-SNAWJCMRSA-N
MW379.38 g/mol
LogP5.79
Rot. Bonds4

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

2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 19080131) has the molecular formula C23H16F3NO and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID19080131
Molecular FormulaC23H16F3NO
Molecular Weight379.38 g/mol
Exact Mass379.12
IUPAC Name2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(/C=C/c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C23H16F3NO/c24-18-12-8-16(9-13-18)5-4-15-6-10-17(11-7-15)21-14-28-23(27-21)22-19(25)2-1-3-20(22)26/h1-13,21H,14H2/b5-4+
InChIKeyWRFCVERTEHSBNM-SNAWJCMRSA-N
XLogP5.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 55.79
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-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 19080131) is 2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole is Fc1ccc(/C=C/c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is WRFCVERTEHSBNM-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H16F3NO/c24-18-12-8-16(9-13-18)5-4-15-6-10-17(11-7-15)21-14-28-23(27-21)22-19(25)2-1-3-20(22)26/h1-13,21H,14H2/b5-4+.
What are the key properties of 2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 379.38 g/mol, XLogP of 5.79, 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-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19080131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).