5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole

C22H18FNO — CID 91027449

IUPAC5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole
SMILESFc1ccccc1C1=CC(Cc2ccccc2)(c2ccccc2)ON1
InChIInChI=1S/C22H18FNO/c23-20-14-8-7-13-19(20)21-16-22(25-24-21,18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,16,24H,15H2
InChIKeyJMHNCFZZQLQEMJ-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.84
Rot. Bonds4

About 5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole

5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole (PubChem CID 91027449) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole
PubChem CID91027449
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole
SMILESFc1ccccc1C1=CC(Cc2ccccc2)(c2ccccc2)ON1
InChIInChI=1S/C22H18FNO/c23-20-14-8-7-13-19(20)21-16-22(25-24-21,18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,16,24H,15H2
InChIKeyJMHNCFZZQLQEMJ-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropylidene-1-(4-fluorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanamine
CID 53912762
5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
CID 57249872
3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90810848
2-fluoro-5-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazol-3-yl]benzonitrile
CID 90839371
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90892788
1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
CID 90896555
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
CID 90926595
5-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90940837
1-(4-fluorophenyl)-N-phenylmethoxybut-1-en-1-amine
CID 90954616
3-(4-methylphenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90967530

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole (CID 91027449) is 5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole is Fc1ccccc1C1=CC(Cc2ccccc2)(c2ccccc2)ON1.
What is the InChIKey of 5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole?
The InChIKey is JMHNCFZZQLQEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c23-20-14-8-7-13-19(20)21-16-22(25-24-21,18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,16,24H,15H2.
What are the key properties of 5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole?
5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole has a molecular weight of 331.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole is sourced from PubChem (CID 91027449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).