2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C13H15NO — CID 11084874

IUPAC2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESC=Cc1ccccc1C1=NC(C)(C)CO1
InChIInChI=1S/C13H15NO/c1-4-10-7-5-6-8-11(10)12-14-13(2,3)9-15-12/h4-8H,1,9H2,2-3H3
InChIKeyBTTRHJXHSVXTSF-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.88
Rot. Bonds2

About 2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 11084874) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID11084874
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESC=Cc1ccccc1C1=NC(C)(C)CO1
InChIInChI=1S/C13H15NO/c1-4-10-7-5-6-8-11(10)12-14-13(2,3)9-15-12/h4-8H,1,9H2,2-3H3
InChIKeyBTTRHJXHSVXTSF-UHFFFAOYSA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 11084874) is 2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole is C=Cc1ccccc1C1=NC(C)(C)CO1.
What is the InChIKey of 2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is BTTRHJXHSVXTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-10-7-5-6-8-11(10)12-14-13(2,3)9-15-12/h4-8H,1,9H2,2-3H3.
What are the key properties of 2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 11084874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).