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

C17H23N3O2CAS 118949-61-4301.39 g/mol

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Properties

Molecular formula
C17H23N3O2
Molar mass
301.39 g/mol
Exact mass
301.1790 Da
Melting point
151–154 °C
logP
2.68Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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
118949-61-4
SMILES
CC(C)[C@H]1COC(c2cccc(C3=N[C@@H](C(C)C)CO3)n2)=N1
InChIKey
CSGQGLBCAHGJDR-HUUCEWRRSA-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-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
  • Pyridine, 2,6-bis[4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-, [S-(R*,R*)]-
  • 2,6-Bis[(4S)-4-isopropyl-2-oxazolin-2-yl]pyridine
  • 2,6-Bis[(4S)-4-isopropyloxazolin-2-yl]pyridine
  • 2,6-Bis[(4S)-(-)-isopropyl-2-oxazolin-2-yl]pyridine
  • 2,6-Bis((S)-4-isopropyl-2-oxazolin-2-yl)pyridine
  • 2,6-Bis[(4S)-isopropyl-2-oxazolin-2-yl]pyridine
  • (S)-iPr-pybox
  • 2,6-Bis[(4S)-4,5-dihydro-4-isopropyloxazol-2-yl]pyridine
  • (S,S)-iPr-Pybox
  • 2,6-Bis((4S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine
  • 2,6-Bis(4-(S)-isopropyloxazolinyl)pyridine
  • 2,6-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine
  • (S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine

Work with 2,6-Bis[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]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)-2,2'-(2,6-Pyridinediyl)bis(4-isopropyl-2-oxazoline)131864-67-0Enantiomer

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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