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

C15H19NO — CID 23293163

IUPAC5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESC=CC1OC(c2ccccc2)=NC1CC(C)C
InChIInChI=1S/C15H19NO/c1-4-14-13(10-11(2)3)16-15(17-14)12-8-6-5-7-9-12/h4-9,11,13-14H,1,10H2,2-3H3
InChIKeyIQDTUYRBRWAFKB-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.43
Rot. Bonds4

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

5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 23293163) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID23293163
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESC=CC1OC(c2ccccc2)=NC1CC(C)C
InChIInChI=1S/C15H19NO/c1-4-14-13(10-11(2)3)16-15(17-14)12-8-6-5-7-9-12/h4-9,11,13-14H,1,10H2,2-3H3
InChIKeyIQDTUYRBRWAFKB-UHFFFAOYSA-N
XLogP3.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 23293163) is 5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole is C=CC1OC(c2ccccc2)=NC1CC(C)C.
What is the InChIKey of 5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IQDTUYRBRWAFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-14-13(10-11(2)3)16-15(17-14)12-8-6-5-7-9-12/h4-9,11,13-14H,1,10H2,2-3H3.
What are the key properties of 5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 229.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 23293163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).