(S)-(-)-4-Benzyloxazolidine-2,5-dione

C₁₀H₉NO₃CAS 14825-82-2191.19 g/mol

Open in Covalent MOL file

Acid anhydride Carbamate

Properties

Molecular formula: C₁₀H₉NO₃
Molar mass: 191.19 g/mol
Exact mass: 191.0582 Da
logP: 0.86Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

14825-82-2

SMILES

C1=CC=C(C=C1)C[C@H]2C(=O)OC(=O)N2

InChIKey

GQBIVYSGPXCELZ-QMMMGPOBSA-N

InChI

InChI=1S/C10H9NO3/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,13)/t8-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(4S)-4-Benzyl-1,3-oxazolidine-2,5-dione

Work with (S)-(-)-4-Benzyloxazolidine-2,5-dione

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

Boc-phe-ome51987-73-659 % similar Z-Tyr-obzl5513-40-658 % similar N6-Carbobenzoxy-L-lysine N-carboxyanhydride1676-86-457 % similar (S)-Benzyl (2-oxooxetan-3-YL)carbamate26054-60-454 % similar N-Cbz-L-homoserine lactone35677-89-551 % similar Boc-tyr-obzl19391-35-650 % similar Benzyl N-((benzyloxy)carbonyl)-L-serinate21209-51-850 % similar Boc-dl-phe-oh4530-18-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxy-1H-indole-3-carboxylic acid10242-01-0 4-Methoxy-1H-indole-2-carboxylic acid103260-65-7 7-Methoxy-1H-indole-3-carboxylic acid128717-77-1 5-Hydroxyindoleacetic acid1321-73-9 2-Oxindole-6-carboxylic acid methyl ester14192-26-8 6-Methoxy-1H-indole-2-carboxylic acid16732-73-3 Methyl oxindole-5-carboxylate199328-10-4 4-Methoxy-1H-indole-3-carboxylic acid203937-50-2

Elsewhere

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