CAS 15646-46-5|(4E)-4-(ethoxymethylidene)-2-phenyl-4,5-dihydro-1,3-oxazol-5-one|(4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one|oxazolone|4-乙氧基亚甲基-2-苯基唑啉-5-酮|4-Ethoxymethylene-2-ph...

General Information

Structure

Molecular Formula

C₁₂H₁₁NO₃

Molecular Mass

217.22064

Exact Mass

217.07389322

Charge

InChI

InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+

InChIKey

SJHPCNCNNSSLPL-CSKARUKUSA-N

Canonic Smiles

CCO/C=C\1/N=C(OC1=O)c1ccccc1

Isomeric Smiles

O1C(=O)/C(=C\OCC)/N=C1c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.116462

LogD (pH = 7.4)

2.116462

Log P

2.116462

Molar Refractivity

59.5376

Polarizability

22.579494

Polar Surface Area

47.89

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one4-Ethoxymethylene-2-phenyloxazolin-5-one4-乙氧基亚甲基-2-苯基唑啉-5-酮4-乙氧基亚甲基-2-苯基-2-唑啉-5-酮4-Ethoxymethylene-2-phenyl-2-oxazolin-5-oneOxazolone sensitizing agent4-ETHOXYMETHYLENE-2-PHENYL-2-OXAZOLIN-5-ONE

IUPAC Traditional name

oxazolone

IUPAC name

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

Names and Identifiers

Registration numbers

PubChem SID

1620640452488857324888447

PubChem CID

1712093

CAS Number

15646-46-5