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

C13H15BrN2O — CID 672209

IUPAC(Z)-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-XFFZJAGNSA-N
MW295.18 g/mol
LogP2.96
Rot. Bonds2

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

(Z)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine (PubChem CID 672209) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is (Z)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine.

Molecular Properties

Compound Name(Z)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine
PubChem CID672209
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name(Z)-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-XFFZJAGNSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine?
The IUPAC name of (Z)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine (CID 672209) is (Z)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine.
What is the SMILES notation for (Z)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine?
The canonical SMILES for (Z)-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 (Z)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine?
The InChIKey is WOFBGZBGIXORKC-XFFZJAGNSA-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 (Z)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine?
(Z)-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 (Z)-1-(4-bromophenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethenamine is sourced from PubChem (CID 672209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).