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

C23H15F2NO — CID 164666820

IUPAC2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2cccc(C#Cc3ccccc3)c2)CO1
InChIInChI=1S/C23H15F2NO/c24-19-10-5-11-20(25)22(19)23-26-21(15-27-23)18-9-4-8-17(14-18)13-12-16-6-2-1-3-7-16/h1-11,14,21H,15H2
InChIKeyFHNOPQAQAMULLI-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.88
Rot. Bonds2

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

2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 164666820) has the molecular formula C23H15F2NO and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID164666820
Molecular FormulaC23H15F2NO
Molecular Weight359.38 g/mol
Exact Mass359.11
IUPAC Name2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(F)c1C1=NC(c2cccc(C#Cc3ccccc3)c2)CO1
InChIInChI=1S/C23H15F2NO/c24-19-10-5-11-20(25)22(19)23-26-21(15-27-23)18-9-4-8-17(14-18)13-12-16-6-2-1-3-7-16/h1-11,14,21H,15H2
InChIKeyFHNOPQAQAMULLI-UHFFFAOYSA-N
XLogP4.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853251
4-(2,4-Difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853270
2-(2,6-Difluorophenyl)-4-(4-dodecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007777

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 164666820) is 2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole is Fc1cccc(F)c1C1=NC(c2cccc(C#Cc3ccccc3)c2)CO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is FHNOPQAQAMULLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO/c24-19-10-5-11-20(25)22(19)23-26-21(15-27-23)18-9-4-8-17(14-18)13-12-16-6-2-1-3-7-16/h1-11,14,21H,15H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 359.38 g/mol, XLogP of 4.88, 2 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-[3-(2-phenylethynyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 164666820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).