2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide

C24H18BrFN2O2 — CID 133150119

IUPAC2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1
InChIInChI=1S/C24H18BrFN2O2/c1-15(16-8-12-19(26)13-9-16)28-23(29)20-4-2-3-5-21(20)24-27-14-22(30-24)17-6-10-18(25)11-7-17/h2-15H,1H3,(H,28,29)
InChIKeyYCGROYFUITWHAG-UHFFFAOYSA-N
MW465.32 g/mol
LogP6.40
Rot. Bonds5

About 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide

2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 133150119) has the molecular formula C24H18BrFN2O2 and a molecular weight of 465.32 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
PubChem CID133150119
Molecular FormulaC24H18BrFN2O2
Molecular Weight465.32 g/mol
Exact Mass464.05
IUPAC Name2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1
InChIInChI=1S/C24H18BrFN2O2/c1-15(16-8-12-19(26)13-9-16)28-23(29)20-4-2-3-5-21(20)24-27-14-22(30-24)17-6-10-18(25)11-7-17/h2-15H,1H3,(H,28,29)
InChIKeyYCGROYFUITWHAG-UHFFFAOYSA-N
XLogP6.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.32
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide 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-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 133150118
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
CID 100508690
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100510062
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide
CID 133150074
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133150117
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100510298
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 100506520
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150106
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 100510051
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-fluorophenyl)benzamide
CID 100509139
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097
N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide
CID 36702942

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide (CID 133150119) is 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is YCGROYFUITWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrFN2O2/c1-15(16-8-12-19(26)13-9-16)28-23(29)20-4-2-3-5-21(20)24-27-14-22(30-24)17-6-10-18(25)11-7-17/h2-15H,1H3,(H,28,29).
What are the key properties of 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide?
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 465.32 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 133150119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).