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

C12H11NO2 — CID 46221327

IUPAC2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one
SMILESC=CCC1OC(c2ccccc2)=NC1=O
InChIInChI=1S/C12H11NO2/c1-2-6-10-11(14)13-12(15-10)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2
InChIKeySEHFGHSAKKSRII-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.93
Rot. Bonds3

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

2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one (PubChem CID 46221327) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one
PubChem CID46221327
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one
SMILESC=CCC1OC(c2ccccc2)=NC1=O
InChIInChI=1S/C12H11NO2/c1-2-6-10-11(14)13-12(15-10)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2
InChIKeySEHFGHSAKKSRII-UHFFFAOYSA-N
XLogP1.93
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.93
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 2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one?
The IUPAC name of 2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one (CID 46221327) is 2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one.
What is the SMILES notation for 2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one?
The canonical SMILES for 2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one is C=CCC1OC(c2ccccc2)=NC1=O.
What is the InChIKey of 2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one?
The InChIKey is SEHFGHSAKKSRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-6-10-11(14)13-12(15-10)9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2.
What are the key properties of 2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one?
2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one has a molecular weight of 201.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-prop-2-enyl-1,3-oxazol-4-one is sourced from PubChem (CID 46221327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).