5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole

C11H11NO — CID 10352169

IUPAC5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESC=CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO/c1-2-10-8-11(12-13-10)9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKeyRGJZSIUAKGEEFG-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.37
Rot. Bonds2

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

5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 10352169) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID10352169
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESC=CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO/c1-2-10-8-11(12-13-10)9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKeyRGJZSIUAKGEEFG-UHFFFAOYSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.37
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 5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole (CID 10352169) is 5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole is C=CC1CC(c2ccccc2)=NO1.
What is the InChIKey of 5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is RGJZSIUAKGEEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-10-8-11(12-13-10)9-6-4-3-5-7-9/h2-7,10H,1,8H2.
What are the key properties of 5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole?
5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 173.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10352169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).