(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone

C₁₂H₁₃NO₃CAS 132836-66-9219.24 g/mol

Open in Covalent MOL file

Amide Carbamate

Properties

Molecular formula: C₁₂H₁₃NO₃
Molar mass: 219.24 g/mol
Exact mass: 219.0895 Da
logP: 1.60Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

132836-66-9

SMILES

CC(=O)N1[C@H](COC1=O)CC2=CC=CC=C2

InChIKey

YMVGXIZVSPMNPD-NSHDSACASA-N

InChI

InChI=1S/C12H13NO3/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1

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Names and synonyms

1 names

(N-Acetyl)-(4R)-benzyl-2-oxazolidinone

Work with (S)-(+)-3-Acetyl-4-benzyl-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

(4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-867 % similar (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone131685-53-567 % similar Phenylmethyl (4S)-4-(1-methylethyl)-2,5-dioxo-3-oxazolidinecarboxylate158257-41-143 % similar Cbz-N-methyl-L-phenylalanine2899-07-242 % similar N-Cbz-nortropinone130753-13-841 % similar Solriamfetol178429-62-440 % similar (S)-2-(Aminomethyl)-1-cbz-pyrrolidine119020-03-040 % similar Cbz-L-prolinol6216-63-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-6 Benzyl 3-oxocyclobutylcarbamate130369-36-7 2-Butyl-5-nitrobenzofuran133238-87-6 1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid133747-57-6 (4S)-3-(1-Oxopropyl)-4-phenyl-2-oxazolidinone184363-66-4 5-Methoxy-2-methylindole-3-acetic acid2882-15-7 Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-5 Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-9

Elsewhere

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