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

C18H13NO2 — CID 919313

IUPAC(5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one
SMILESO=C1N=C(c2ccccc2)O/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H13NO2/c20-17-16(13-7-10-14-8-3-1-4-9-14)21-18(19-17)15-11-5-2-6-12-15/h1-13H/b10-7+,16-13-
InChIKeyUKGCLUWAYXLSTM-SBFJKYRKSA-N
MW275.31 g/mol
LogP3.59
Rot. Bonds3

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

(5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one (PubChem CID 919313) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one
PubChem CID919313
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name(5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one
SMILESO=C1N=C(c2ccccc2)O/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H13NO2/c20-17-16(13-7-10-14-8-3-1-4-9-14)21-18(19-17)15-11-5-2-6-12-15/h1-13H/b10-7+,16-13-
InChIKeyUKGCLUWAYXLSTM-SBFJKYRKSA-N
XLogP3.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one
CID 927453
(4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6009501
6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione
CID 72751782
(4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 794023
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
(4Z)-2-(4-heptoxyphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6280196
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
(5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one
CID 2313510
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one?
The IUPAC name of (5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one (CID 919313) is (5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one.
What is the SMILES notation for (5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one?
The canonical SMILES for (5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one is O=C1N=C(c2ccccc2)O/C1=C\C=C\c1ccccc1.
What is the InChIKey of (5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one?
The InChIKey is UKGCLUWAYXLSTM-SBFJKYRKSA-N. The full InChI is InChI=1S/C18H13NO2/c20-17-16(13-7-10-14-8-3-1-4-9-14)21-18(19-17)15-11-5-2-6-12-15/h1-13H/b10-7+,16-13-.
What are the key properties of (5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one?
(5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one has a molecular weight of 275.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one is sourced from PubChem (CID 919313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).