(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one

C22H15NO2 — CID 690059

IUPAC(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H15NO2/c24-22-20(23-21(25-22)19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15H/b20-15+
InChIKeyZDMSZLZFVXBKDU-HMMYKYKNSA-N
MW325.37 g/mol
LogP4.70
Rot. Bonds3

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

(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 690059) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID690059
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H15NO2/c24-22-20(23-21(25-22)19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15H/b20-15+
InChIKeyZDMSZLZFVXBKDU-HMMYKYKNSA-N
XLogP4.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.70
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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Related Compounds

4-[(E)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 2480120
(4Z)-4-[(4-tert-butylphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665289
4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 71414757
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665278
[4-[(Z)-[5-oxo-2-(4-phenylphenyl)-1,3-oxazol-4-ylidene]methyl]phenyl] propanoate
CID 19665311
4-[[4-[ethyl(methyl)amino]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3468518
2-(4-phenylphenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one
CID 3519598
(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313248
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665456
(4Z)-4-[[4-[(2-bromophenyl)methoxy]phenyl]methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665515
4-[(4-butoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3093027
(4E)-4-[[4-(3,4-dichlorophenoxy)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 50990705

Frequently Asked Questions

What is the IUPAC name of (4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one (CID 690059) is (4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is ZDMSZLZFVXBKDU-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H15NO2/c24-22-20(23-21(25-22)19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15H/b20-15+.
What are the key properties of (4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 325.37 g/mol, XLogP of 4.70, 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-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 690059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).