4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole

C13H13NO — CID 68720148

IUPAC4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole
SMILESC=CC1COC(C=Cc2ccccc2)=N1
InChIInChI=1S/C13H13NO/c1-2-12-10-15-13(14-12)9-8-11-6-4-3-5-7-11/h2-9,12H,1,10H2
InChIKeyUGOGZOFYKJEGNJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.68
Rot. Bonds3

About 4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole

4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 68720148) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole
PubChem CID68720148
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole
SMILESC=CC1COC(C=Cc2ccccc2)=N1
InChIInChI=1S/C13H13NO/c1-2-12-10-15-13(14-12)9-8-11-6-4-3-5-7-11/h2-9,12H,1,10H2
InChIKeyUGOGZOFYKJEGNJ-UHFFFAOYSA-N
XLogP2.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole (CID 68720148) is 4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole is C=CC1COC(C=Cc2ccccc2)=N1.
What is the InChIKey of 4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is UGOGZOFYKJEGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-12-10-15-13(14-12)9-8-11-6-4-3-5-7-11/h2-9,12H,1,10H2.
What are the key properties of 4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 199.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 68720148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).