(4Z)-2-phenyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-oxazol-5-one|(4Z)-2-phenyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one|(Z)-2-phenyl-4-((E)-3-phenylallylidene)oxazol-5(4H...

General Information

Structure

Molecular Formula

C₁₈H₁₃NO₂

Molecular Mass

275.30132

Exact Mass

275.09462866

Charge

InChI

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-

InChIKey

AYHSMADDXZUZBX-SBFJKYRKSA-N

Canonic Smiles

O=C1OC(=N/C/1=C\C=C\c1ccccc1)c1ccccc1

Isomeric Smiles

N1=C(OC(=O)/C/1=C/C=C/c1ccccc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.3675933

LogD (pH = 7.4)

4.367594

Log P

4.367594

Molar Refractivity

84.1472

Polarizability

31.323652

Polar Surface Area

38.66

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

(Z)-2-phenyl-4-((E)-3-phenylallylidene)oxazol-5(4H)-one

Names and Identifiers

Registration numbers

PubChem SID

162107808

PubChem CID

689987

Registration numbers

Properties

Product Information

Description

Cis/trans Isomers

Classification

Derivatives & analogs of Natural Compounds

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:119355