CAS 17016-83-0|CAS 95530-58-8|(4S)-4-Isopropyl-1,3-oxazolidin-2-one|(4R)-4-isopropyl-1,3-oxazolidin-2-one|(4S)-2-Oxo-4-(prop-2-yl)-1,3-oxazolidine|(4R)-4-(propan-2-yl)-1,3-oxazolidin-2-one|(4S)-4-(P...

General Information

Structure

Molecular Formula

C₆H₁₁NO₂

Molecular Mass

129.15704

Exact Mass

129.0789786

Charge

InChI

InChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m0/s1

InChIKey

YBUPWRYTXGAWJX-YFKPBYRVSA-N

Canonic Smiles

CC([C@@H]1COC(=O)N1)C

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

13.160297

H Acceptors

H Donor

LogD (pH = 5.5)

0.94522417

LogD (pH = 7.4)

0.9452235

Log P

0.94522417

Molar Refractivity

32.4316

Polarizability

12.991205

Polar Surface Area

38.33

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(4R)-4-(propan-2-yl)-1,3-oxazolidin-2-one

IUPAC Traditional name

(4R)-4-isopropyl-1,3-oxazolidin-2-one

Synonyms

(4S)-4-(Prop-2-yl)-1,3-oxazolidin-2-one(4S)-2-Oxo-4-(prop-2-yl)-1,3-oxazolidine(4S)-4-Isopropyl-1,3-oxazolidin-2-one(4R)-(+)-4-异丙基-2-噁唑啉酮(R)-4-Isopropyl-2-oxazolidinone(R)-(+)-4-异丙基-2-噁唑烷酮(4R)-(+)-4-Isopropyl-2-oxazolidinone(R)-(+)-4-Isopropyl-2-oxazolidinone(R)-4-异丙基-2-噁唑烷酮(r)-(+)-4-isopropyl-2-oxazolidinone(4r)-(+)-4-isopropyl-2-oxazolidinone

Names and Identifiers

Registration numbers

CAS Number

17016-83-095530-58-8

MDL Number

MFCD00010847MFCD00075172

PubChem SID

2488163724860748162078942

Beilstein Number

5376658

PubChem CID

641505