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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Related Compounds

{2-[(E)-2-phenylvinyl]-4,5-dihydro-1,3-oxazole-4,4-diyl}dimethanol
CID 1511175
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-
CID 6311587
2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 21893989
[(4S,5S)-2-((Z)-4-Phenyl-buta-1,3-dienyl)-5-vinyl-4,5-dihydro-oxazol-4-yl]-methanol
CID 44394681
(4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazole-4-thiol
CID 44394637
((4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394873
4-Methyl-2-phenyloxazoline
CID 11469237
4-Ethyl-2-phenyl-4,5-dihydro-1,3-oxazole
CID 15076225
(4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 10272666
4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole
CID 10988558
(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 11063472
4,4-Dimethyl-2-(2-phenylethenyl)-2-oxazoline
CID 121136

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).