CAS 152305-23-2|CAS 340041-89-6|(S)-4-(4-Aminobenzyl)oxazolidin-2-one|(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one|(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one|(S)-4-(4-Aminobenzyl)-2(...

General Information

Structure

Molecular Formula

C₁₀H₁₂N₂O₂

Molecular Mass

192.21448

Exact Mass

192.08987763

Charge

InChI

InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m0/s1

InChIKey

WNAVSKJKDPLWBD-VIFPVBQESA-N

Canonic Smiles

O=C1OC[C@@H](N1)Cc1ccc(cc1)N

Isomeric Smiles

O1C(=O)N[C@H](C1)Cc1ccc(cc1)N

Calculated Properties

JChem

Acid pKa

13.100764

H Acceptors

H Donor

LogD (pH = 5.5)

0.8593304

LogD (pH = 7.4)

0.884794

Log P

0.8851294

Molar Refractivity

52.7554

Polarizability

20.016994

Polar Surface Area

64.35

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(S)-4-(4-Aminobenzyl)oxazolidin-2-one(S)-4-(4-Aminobenzyl)-2(1H)-oxazolidinone(4S)-4-[(4-氨基苯基)甲基]-2-恶唑烷酮(4S)-4-[(4-Aminophenyl)methyl]-2-oxazolidinone(S)-4-(4-氨基苄基)-1,3-唑烷-2-酮ZTR 5(S)-4-(4-Aminobenzyl)-2-(1H)-oxazolidinone4S)-4-(4-Aminobenzyl)-1,3-oxazolidin-2-one

IUPAC Traditional name

(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

IUPAC name

(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

Names and Identifiers

Registration numbers

MDL Number

MFCD03411476

CAS Number

152305-23-2340041-89-6

PubChem SID

24884353162033668