(S)-4-(4-Aminobenzyl)oxazolidin-2-one

C₁₀H₁₂N₂O₂CAS 152305-23-2192.22 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed91.3% of notifiers
H315 Causes skin irritation93.5% of notifiers
H319 Causes serious eye irritation93.5% of notifiers
H335 May cause respiratory irritation91.3% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

10 names

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

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 (S)-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 p-Amino-DL-phenylalanine hydrate2922-41-042 % 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 1-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline39275-18-8 4-(4-Aminophenyl)morpholin-3-one438056-69-0

Elsewhere

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