(E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine

C13H15BrN2O — CID 672208

IUPAC(E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine
SMILESCC1(C)COC(/C=C(/N)c2ccc(Br)cc2)=N1
InChIInChI=1S/C13H15BrN2O/c1-13(2)8-17-12(16-13)7-11(15)9-3-5-10(14)6-4-9/h3-7H,8,15H2,1-2H3/b11-7+
InChIKeyWOFBGZBGIXORKC-YRNVUSSQSA-N
MW295.18 g/mol
LogP2.96
Rot. Bonds2

About (E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine

(E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine (PubChem CID 672208) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is (E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine.

Molecular Properties

Compound Name(E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine
PubChem CID672208
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name(E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine
SMILESCC1(C)COC(/C=C(/N)c2ccc(Br)cc2)=N1
InChIInChI=1S/C13H15BrN2O/c1-13(2)8-17-12(16-13)7-11(15)9-3-5-10(14)6-4-9/h3-7H,8,15H2,1-2H3/b11-7+
InChIKeyWOFBGZBGIXORKC-YRNVUSSQSA-N
XLogP2.96
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1Z)-2-(4,4-dimethyl(1,3-oxazolin-2-yl))-1-(4-bromophenyl)vinylamine
CID 672209
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine
CID 13326607
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine
CID 101024184
(4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-1,3-oxazole
CID 175747149
(4Z)-4-[(4-bromo-3,5-dimethylphenyl)methylidene]-2-methyl-1,3-oxazol-5-imine
CID 177968895
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
CID 682847
1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine
CID 3937608
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
CID 5392309
(E)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine
CID 10657101
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine
CID 15421786
2-[(E)-2-(4-bromophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 101488479
(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine
CID 177594357

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine?
The IUPAC name of (E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine (CID 672208) is (E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine.
What is the SMILES notation for (E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine?
The canonical SMILES for (E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine is CC1(C)COC(/C=C(/N)c2ccc(Br)cc2)=N1.
What is the InChIKey of (E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine?
The InChIKey is WOFBGZBGIXORKC-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-13(2)8-17-12(16-13)7-11(15)9-3-5-10(14)6-4-9/h3-7H,8,15H2,1-2H3/b11-7+.
What are the key properties of (E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine?
(E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine has a molecular weight of 295.18 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine is sourced from PubChem (CID 672208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).