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

C16H14FNO — CID 90911263

IUPAC5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=CC(Cc3ccccc3)ON2)cc1
InChIInChI=1S/C16H14FNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,11,15,18H,10H2
InChIKeyATYXZXYONJFZCF-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.31
Rot. Bonds3

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

5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 90911263) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID90911263
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=CC(Cc3ccccc3)ON2)cc1
InChIInChI=1S/C16H14FNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,11,15,18H,10H2
InChIKeyATYXZXYONJFZCF-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-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-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (CID 90911263) is 5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is Fc1ccc(C2=CC(Cc3ccccc3)ON2)cc1.
What is the InChIKey of 5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is ATYXZXYONJFZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,11,15,18H,10H2.
What are the key properties of 5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90911263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).