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

C₁₇H₂₃N₃O₂CAS 131864-67-0301.39 g/mol

Open in Covalent MOL file

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

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

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

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.

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

Similar compounds

(R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine128249-70-759 % similar (S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine174500-20-059 % similar (R)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-(1-methylethyl)-4,5-dihydrooxazole164858-78-050 % similar (R)-4-Isopropyl-2-oxazolidinone95530-58-842 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-336 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-835 % similar Fmoc-Valinol160885-98-334 % similar Ethyl 6-bromopicolinate21190-88-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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