(S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine

C₂₃H₁₉N₃O₂CAS 174500-20-0369.42 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₃H₁₉N₃O₂
Molar mass: 369.42 g/mol
Exact mass: 369.1477 Da
logP: 4.12Crippen estimate
Polar surface area: 56.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

174500-20-0

SMILES

C1[C@@H](N=C(O1)C2=NC(=CC=C2)C3=N[C@H](CO3)C4=CC=CC=C4)C5=CC=CC=C5

InChIKey

HLHBIMJNCKZZQO-NHCUHLMSSA-N

InChI

InChI=1S/C23H19N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h1-13,20-21H,14-15H2/t20-,21-/m1/s1

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Names and synonyms

1 names

2,6-Bis[(4S)-phenyl-2-oxazolin-2-yl]pyridine

Work with (S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine128249-70-7Enantiomer

Similar compounds

2,6-Bis[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]pyridine118949-61-459 % similar (R,R)-2,2'-(2,6-Pyridinediyl)bis(4-isopropyl-2-oxazoline)131864-67-059 % similar (-)-4-Phenyl-2-oxazolidinone90319-52-153 % similar (S)-(+)-4-Phenyl-2-oxazolidinone99395-88-753 % similar (S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane131457-46-050 % similar (R,R)-2,2'-(Dimethylmethylene)bis(4-phenyl-2-oxazoline)150529-93-450 % similar 2,6-Pyridinedicarbonyl dichloride3739-94-434 % similar (R)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole164858-78-033 % similar

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

Elsewhere

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