(R,R)-2,2'-(2,6-Pyridinediyl)bis(4-isopropyl-2-oxazoline)

C₁₇H₂₃N₃O₂CAS 131864-67-0301.39 g/mol

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Properties

Molecular formula: C₁₇H₂₃N₃O₂
Molar mass: 301.39 g/mol
Exact mass: 301.1790 Da
logP: 2.68Crippen estimate
Polar surface area: 56.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

131864-67-0

SMILES

CC(C)[C@@H]1COC(=N1)C2=NC(=CC=C2)C3=N[C@@H](CO3)C(C)C

InChIKey

CSGQGLBCAHGJDR-GJZGRUSLSA-N

InChI

InChI=1S/C17H23N3O2/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4/h5-7,10-11,14-15H,8-9H2,1-4H3/t14-,15-/m0/s1

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Names and synonyms

1 names

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

Work with (R,R)-2,2'-(2,6-Pyridinediyl)bis(4-isopropyl-2-oxazoline)

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

(R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine128249-70-759 % similar (R)-4-Isopropyl-2-oxazolidinone95530-58-842 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-336 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-835 % similar 9H-Fluoren-9-ylmethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate160885-98-334 % similar 2,6-Diacetylpyridine1129-30-231 % similar 2,6-Pyridinedicarbonyl dichloride3739-94-431 % similar (S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane131457-46-030 % similar

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

Same formula

2,6-Bis[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]pyridine118949-61-4

Elsewhere

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