(4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

C18H13NO2 — CID 689986

IUPAC(4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C/C=C/c1ccccc1
InChIInChI=1S/C18H13NO2/c20-18-16(13-7-10-14-8-3-1-4-9-14)19-17(21-18)15-11-5-2-6-12-15/h1-13H/b10-7+,16-13+
InChIKeyAYHSMADDXZUZBX-NJKRNUQASA-N
MW275.31 g/mol
LogP3.59
Rot. Bonds3

About (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

(4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 689986) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
PubChem CID689986
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name(4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C/C=C/c1ccccc1
InChIInChI=1S/C18H13NO2/c20-18-16(13-7-10-14-8-3-1-4-9-14)19-17(21-18)15-11-5-2-6-12-15/h1-13H/b10-7+,16-13+
InChIKeyAYHSMADDXZUZBX-NJKRNUQASA-N
XLogP3.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (CID 689986) is (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C/C=C/c1ccccc1.
What is the InChIKey of (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The InChIKey is AYHSMADDXZUZBX-NJKRNUQASA-N. The full InChI is InChI=1S/C18H13NO2/c20-18-16(13-7-10-14-8-3-1-4-9-14)19-17(21-18)15-11-5-2-6-12-15/h1-13H/b10-7+,16-13+.
What are the key properties of (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
(4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 275.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 689986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).