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

C17H16FNO — CID 91261845

IUPAC5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole
SMILESCC1(Cc2ccccc2)C=C(c2ccccc2F)NO1
InChIInChI=1S/C17H16FNO/c1-17(11-13-7-3-2-4-8-13)12-16(19-20-17)14-9-5-6-10-15(14)18/h2-10,12,19H,11H2,1H3
InChIKeyNFKPTLRSSFWAIH-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.70
Rot. Bonds3

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

5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole (PubChem CID 91261845) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole
PubChem CID91261845
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole
SMILESCC1(Cc2ccccc2)C=C(c2ccccc2F)NO1
InChIInChI=1S/C17H16FNO/c1-17(11-13-7-3-2-4-8-13)12-16(19-20-17)14-9-5-6-10-15(14)18/h2-10,12,19H,11H2,1H3
InChIKeyNFKPTLRSSFWAIH-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]-3-phenyl-2,5-dihydro-1,2-oxazole
CID 90941741
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-methyl-2H-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole (CID 91261845) is 5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole is CC1(Cc2ccccc2)C=C(c2ccccc2F)NO1.
What is the InChIKey of 5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole?
The InChIKey is NFKPTLRSSFWAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-17(11-13-7-3-2-4-8-13)12-16(19-20-17)14-9-5-6-10-15(14)18/h2-10,12,19H,11H2,1H3.
What are the key properties of 5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole?
5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole has a molecular weight of 269.32 g/mol, XLogP of 3.70, 3 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-methyl-2H-1,2-oxazole is sourced from PubChem (CID 91261845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).