chempirical

(S)-4-(4-Aminobenzyl)-2-oxazolidinone

C10H12N2O2CAS 152305-23-2192.22 g/mol

Open in Covalent MOL file
H2NOOHN
Primary amine

Properties

Molecular formula
C10H12N2O2
Molar mass
192.22 g/mol
Exact mass
192.0899 Da
logP
1.12Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
152305-23-2
SMILES
Nc1ccc(C[C@H]2COC(O)=N2)cc1
InChIKey
WNAVSKJKDPLWBD-VIFPVBQESA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 2-Oxazolidinone, 4-[(4-aminophenyl)methyl]-, (4S)-
  • 2-Oxazolidinone, 4-[(4-aminophenyl)methyl]-, (S)-
  • (4S)-4-[(4-Aminophenyl)methyl]-2-oxazolidinone
  • ZTR 5
  • (4S)-4-(4-Aminobenzyl)-1,3-oxazolidin-2-one
  • (4S)-4-Aminophenylmethyl-oxazolidine-2-one
  • (S)-4-(4-Aminobenzyl)-1,3-oxazolidin-2-one
  • (4S)-4-[(4-Aminophenyl)methyl]-1,3-oxazolidin-2-one
  • 2-Oxazolidinone 4-[(4-aminophenyl)methyl]-, (4S)-

Work with (S)-4-(4-Aminobenzyl)-2-oxazolidinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(R)-4-Benzyl-2-oxazolidinone102029-44-769 % similar (-)-4-Benzyl-2-oxazolidinone90719-32-769 % similar 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-245 % similar Zolmitriptan139264-17-845 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-443 % similar 4-Amino-dl-phenylalanine2922-41-042 % similar 4-Amino-L-phenylalanine943-80-642 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid269396-73-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N,N′-Diacetyl-P-phenylenediamine140-50-1 4-(4-Aminophenyl)morpholin-3-one438056-69-0

Elsewhere

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