2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one

C15H15NO2 — CID 11851035

IUPAC2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one
SMILESC=CCC1(CC=C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H15NO2/c1-3-10-15(11-4-2)14(17)18-13(16-15)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyIIYTWSDCWYMTOA-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.88
Rot. Bonds5

About 2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one

2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one (PubChem CID 11851035) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one
PubChem CID11851035
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one
SMILESC=CCC1(CC=C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H15NO2/c1-3-10-15(11-4-2)14(17)18-13(16-15)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyIIYTWSDCWYMTOA-UHFFFAOYSA-N
XLogP2.88
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one?
The IUPAC name of 2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one (CID 11851035) is 2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one.
What is the SMILES notation for 2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one?
The canonical SMILES for 2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one is C=CCC1(CC=C)N=C(c2ccccc2)OC1=O.
What is the InChIKey of 2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one?
The InChIKey is IIYTWSDCWYMTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-10-15(11-4-2)14(17)18-13(16-15)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2.
What are the key properties of 2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one?
2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one has a molecular weight of 241.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,4-bis(prop-2-enyl)-1,3-oxazol-5-one is sourced from PubChem (CID 11851035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).