CAS 101711-78-8|(R)-4-Benzyl-3-propionyloxazolidin-2-one|(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one|(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one|(S)-(+)-4-苄基-3-丙酰基-2-噁唑烷酮|(S)-(+)-4-Be...

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-/m0/s1

InChIKey

WHOBYFHKONUTMW-NSHDSACASA-N

Canonic Smiles

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

Isomeric Smiles

N1(C(=O)CC)[C@@H](Cc2ccccc2)COC1=O

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-propionyloxazolidin-2-one(S)-(+)-4-苄基-3-丙酰基-2-噁唑烷酮(S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone(S)-N-Propionyl-4-benzyl-1,3-oxazolidin-2-one(4S)-3-(1-Oxopropyl)-4-(phenylmethyl)-2-oxazolidinone(S)-4-Benzyl-3-propionyl-2-oxazolidinone(4S)-4-Benzyl-3-propanoyloxazolidin-2-one(4S)-4-Benzyl-3-propionyl-1,3-oxazolidin-2-one(+)-4-Benzyl-3-propionyl-2-oxazolidinone3-[1-Oxopropyl]-4(S)-(phenylmethyl)-2-oxazolidinone(4s)-(+)-4-benzyl-3-propionyl-2-oxazolidinone(S)-4-Benzyl-3-propionyloxazolidin-2-one

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

PubChem SID

16204218124869502

PubChem CID

2733696

CAS Number

101711-78-8