2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole

C21H19BrFNO2 — CID 139970248

IUPAC2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole
SMILESCOc1ccc(CCc2coc(/C=C/c3ccc(Br)cc3F)n2)cc1C
InChIInChI=1S/C21H19BrFNO2/c1-14-11-15(4-9-20(14)25-2)3-8-18-13-26-21(24-18)10-6-16-5-7-17(22)12-19(16)23/h4-7,9-13H,3,8H2,1-2H3/b10-6+
InChIKeyZOPWZJPJGKPJNL-UXBLZVDNSA-N
MW416.29 g/mol
LogP5.85
Rot. Bonds6

About 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole

2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole (PubChem CID 139970248) has the molecular formula C21H19BrFNO2 and a molecular weight of 416.29 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole
PubChem CID139970248
Molecular FormulaC21H19BrFNO2
Molecular Weight416.29 g/mol
Exact Mass415.06
IUPAC Name2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole
SMILESCOc1ccc(CCc2coc(/C=C/c3ccc(Br)cc3F)n2)cc1C
InChIInChI=1S/C21H19BrFNO2/c1-14-11-15(4-9-20(14)25-2)3-8-18-13-26-21(24-18)10-6-16-5-7-17(22)12-19(16)23/h4-7,9-13H,3,8H2,1-2H3/b10-6+
InChIKeyZOPWZJPJGKPJNL-UXBLZVDNSA-N
XLogP5.85
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.29
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-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

[1-[3-[4-[[2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]-2-methylphenoxy]propyl]imidazol-2-yl]methanol
CID 139970252
(Z)-N'-[4-[4-[[2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]ethene-1,2-diamine
CID 142575671
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
[2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol
CID 68939513
3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002301
2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole
CID 89105623
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
CID 115146811
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863
4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
CID 58961640
2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene
CID 143545189

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole?
The IUPAC name of 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole (CID 139970248) is 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole.
What is the SMILES notation for 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole?
The canonical SMILES for 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole is COc1ccc(CCc2coc(/C=C/c3ccc(Br)cc3F)n2)cc1C.
What is the InChIKey of 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole?
The InChIKey is ZOPWZJPJGKPJNL-UXBLZVDNSA-N. The full InChI is InChI=1S/C21H19BrFNO2/c1-14-11-15(4-9-20(14)25-2)3-8-18-13-26-21(24-18)10-6-16-5-7-17(22)12-19(16)23/h4-7,9-13H,3,8H2,1-2H3/b10-6+.
What are the key properties of 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole?
2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole has a molecular weight of 416.29 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]-4-[2-(4-methoxy-3-methylphenyl)ethyl]-1,3-oxazole is sourced from PubChem (CID 139970248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).