(S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane

C21H22N2O2CAS 131457-46-0334.42 g/mol

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NONO

Properties

Molecular formula
C21H22N2O2
Molar mass
334.42 g/mol
Exact mass
334.1681 Da
logP
4.35Crippen estimate
Polar surface area
43.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
131457-46-0
SMILES
CC(C)(C1=N[C@H](CO1)C2=CC=CC=C2)C3=N[C@H](CO3)C4=CC=CC=C4
InChIKey
JTNVCJCSECAMLD-QZTJIDSGSA-N
InChI
InChI=1S/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1

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Names and synonyms

1 names
  • (S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)

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

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)-2,2'-(Dimethylmethylene)bis(4-phenyl-2-oxazoline)150529-93-4Enantiomer

Similar compounds

(-)-4-Phenyl-2-oxazolidinone90319-52-156 % similar (S)-(+)-4-Phenyl-2-oxazolidinone99395-88-756 % similar (R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine128249-70-750 % similar (S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine174500-20-050 % similar 2,2-Bis[2-[4(S)-tert-butyl-1,3-oxazolinyl]]propane131833-93-747 % similar (R,R)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)131833-97-147 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-742 % similar 1,1-Dimethylethyl N-[(1R)-2-[(methylsulfonyl)oxy]-1-phenylethyl]carbamate102089-75-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Strychnine57-24-9

Elsewhere

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