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

C16H14FNO — CID 53362512

IUPAC4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2=NC(Cc3ccccc3)CO2)cc1
InChIInChI=1S/C16H14FNO/c17-14-8-6-13(7-9-14)16-18-15(11-19-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyAIKJCPPAIKCZQH-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.21
Rot. Bonds3

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

4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 53362512) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID53362512
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2=NC(Cc3ccccc3)CO2)cc1
InChIInChI=1S/C16H14FNO/c17-14-8-6-13(7-9-14)16-18-15(11-19-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyAIKJCPPAIKCZQH-UHFFFAOYSA-N
XLogP3.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Related Compounds

2-Phenyl-2-oxazoline
CID 244030
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
2,4-Diphenyl-1,3-oxazoline
CID 10889524
2-(2,6-Difluorophenyl)4-(4-bromophenyl)oxazoline
CID 11046011
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
(4R)-2-(2-(Diphenylphosphanyl)phenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 2734144
2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
4-Benzyl-2-(4-bromophenyl)-4,5-dihydro-1,3-oxazole
CID 9547854
4-Benzyl-2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-oxazole
CID 9547868

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole (CID 53362512) is 4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole is Fc1ccc(C2=NC(Cc3ccccc3)CO2)cc1.
What is the InChIKey of 4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is AIKJCPPAIKCZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-14-8-6-13(7-9-14)16-18-15(11-19-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 53362512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).