CAS 131685-53-5|CAS 101711-78-8|(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone|(4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one|(4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one|(R)-(-)-4-苄基-3-丙酰基-2-噁...

General Information

Structure

Molecular Formula

C₁₃H₁₅NO₃

Molecular Mass

233.2631

Exact Mass

233.10519335

Charge

InChI

InChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m1/s1

InChIKey

WHOBYFHKONUTMW-LLVKDONJSA-N

Canonic Smiles

CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1

Isomeric Smiles

O1C(=O)N([C@@H](C1)Cc1ccccc1)C(=O)CC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.4031994

LogD (pH = 7.4)

2.4031994

Log P

2.4031994

Molar Refractivity

62.2478

Polarizability

24.473927

Polar Surface Area

46.61

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone(R)-(-)-4-苄基-3-丙酰基-2-噁唑烷酮(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one(4S)-4-Benzyl-2-oxo-3-propanoyl-1,3-oxazolidine(4R)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one(4R)-4-Benzyl-3-propionyloxazolidin-2-one(R)-3-(1-Oxopropyl)-4-benzyl-2-oxazolidinone(R)-3-(1-Oxopropyl)-4-(phenylmethyl)-2-oxazolidinone(R)-4-Benzyl-3-propionyl-oxazolidin-2-one(-)-4-Benzyl-3-propionyl-2-oxazolidinone(R)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one(R)-4-Benzyl-3-propionyloxazolidin-2-one

IUPAC name

(4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one

IUPAC Traditional name

(4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one

Names and Identifiers

Registration numbers

CAS Number

131685-53-5101711-78-8

MDL Number

MFCD00269687MFCD00269688

PubChem SID

16203574024869569