2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole

C15H17NO — CID 67826165

IUPAC2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESC=Cc1ccc(/C=C/C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C15H17NO/c1-4-12-5-7-13(8-6-12)9-10-14-16-15(2,3)11-17-14/h4-10H,1,11H2,2-3H3/b10-9+
InChIKeyJMLVQMOAXDIKTN-MDZDMXLPSA-N
MW227.31 g/mol
LogP3.55
Rot. Bonds3

About 2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 67826165) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID67826165
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESC=Cc1ccc(/C=C/C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C15H17NO/c1-4-12-5-7-13(8-6-12)9-10-14-16-15(2,3)11-17-14/h4-10H,1,11H2,2-3H3/b10-9+
InChIKeyJMLVQMOAXDIKTN-MDZDMXLPSA-N
XLogP3.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 67826165) is 2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole is C=Cc1ccc(/C=C/C2=NC(C)(C)CO2)cc1.
What is the InChIKey of 2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is JMLVQMOAXDIKTN-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H17NO/c1-4-12-5-7-13(8-6-12)9-10-14-16-15(2,3)11-17-14/h4-10H,1,11H2,2-3H3/b10-9+.
What are the key properties of 2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 227.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 67826165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).