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

C17H12BrFN2O2 — CID 16866880

IUPAC4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrFN2O2/c18-13-5-1-12(2-6-13)17(22)20-10-15-9-16(23-21-15)11-3-7-14(19)8-4-11/h1-9H,10H2,(H,20,22)
InChIKeyYPCZXMWMTIRKKR-UHFFFAOYSA-N
MW375.20 g/mol
LogP4.17
Rot. Bonds4

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

4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 16866880) has the molecular formula C17H12BrFN2O2 and a molecular weight of 375.20 g/mol. Its IUPAC name is 4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID16866880
Molecular FormulaC17H12BrFN2O2
Molecular Weight375.20 g/mol
Exact Mass374.01
IUPAC Name4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrFN2O2/c18-13-5-1-12(2-6-13)17(22)20-10-15-9-16(23-21-15)11-3-7-14(19)8-4-11/h1-9H,10H2,(H,20,22)
InChIKeyYPCZXMWMTIRKKR-UHFFFAOYSA-N
XLogP4.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]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

N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
CID 16866852
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-iodobenzamide
CID 16866881
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 91766494
N-[(4-bromo-2-pyridinyl)methyl]-4-fluorobenzamide
CID 59437298
2-cyclopentyl-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866847

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 16866880) is 4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide is O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is YPCZXMWMTIRKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O2/c18-13-5-1-12(2-6-13)17(22)20-10-15-9-16(23-21-15)11-3-7-14(19)8-4-11/h1-9H,10H2,(H,20,22).
What are the key properties of 4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide?
4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 375.20 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 16866880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).