5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole

C17H16FNO — CID 59544916

IUPAC5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole
SMILESCC1(Cc2ccccc2)CC(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/h2-10H,11-12H2,1H3
InChIKeyXAUDYZQFQMHSNU-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.95
Rot. Bonds3

About 5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole

5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole (PubChem CID 59544916) 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-4H-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole
PubChem CID59544916
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole
SMILESCC1(Cc2ccccc2)CC(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/h2-10H,11-12H2,1H3
InChIKeyXAUDYZQFQMHSNU-UHFFFAOYSA-N
XLogP3.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole (CID 59544916) is 5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole is CC1(Cc2ccccc2)CC(c2ccccc2F)=NO1.
What is the InChIKey of 5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole?
The InChIKey is XAUDYZQFQMHSNU-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/h2-10H,11-12H2,1H3.
What are the key properties of 5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole?
5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole has a molecular weight of 269.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole is sourced from PubChem (CID 59544916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).