chempirical

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

C23H19N3O2CAS 128249-70-7369.42 g/mol

Open in Covalent MOL file
NONNO

Properties

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

Identifiers

CAS number
128249-70-7
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-SFTDATJTSA-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-/m0/s1

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Names and synonyms

1 names
  • 2,6-Bis[(4R)-4-phenyl-2-oxazolinyl]pyridine

Work with (R,R)-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

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 2,6-Pyridinedicarbonyl dichloride3739-94-434 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-333 % similar (+)-Styrene oxide20780-53-432 % similar

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

Elsewhere

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