(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one

C12H11NO2 — CID 88977221

IUPAC(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one
SMILESCC/C=C1/C(=O)ON=C1c1ccccc1
InChIInChI=1S/C12H11NO2/c1-2-6-10-11(13-15-12(10)14)9-7-4-3-5-8-9/h3-8H,2H2,1H3/b10-6+
InChIKeyUSUVBNGAWDVQBE-UXBLZVDNSA-N
MW201.23 g/mol
LogP2.28
Rot. Bonds2

About (4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one

(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one (PubChem CID 88977221) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is (4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one
PubChem CID88977221
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one
SMILESCC/C=C1/C(=O)ON=C1c1ccccc1
InChIInChI=1S/C12H11NO2/c1-2-6-10-11(13-15-12(10)14)9-7-4-3-5-8-9/h3-8H,2H2,1H3/b10-6+
InChIKeyUSUVBNGAWDVQBE-UXBLZVDNSA-N
XLogP2.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one?
The IUPAC name of (4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one (CID 88977221) is (4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one.
What is the SMILES notation for (4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one?
The canonical SMILES for (4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one is CC/C=C1/C(=O)ON=C1c1ccccc1.
What is the InChIKey of (4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one?
The InChIKey is USUVBNGAWDVQBE-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-6-10-11(13-15-12(10)14)9-7-4-3-5-8-9/h3-8H,2H2,1H3/b10-6+.
What are the key properties of (4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one?
(4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one has a molecular weight of 201.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-phenyl-4-propylidene-1,2-oxazol-5-one is sourced from PubChem (CID 88977221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).