Synonyms
(R,R)-i-Pr-pybox
IUPAC Name
(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
Molecular Weight
301.38
Molecular Formula
C17H23N3O2
Canonical SMILES
CC(C)C1COC(=N1)C2=NC(=CC=C2)C3=NC(CO3)C(C)C
InChI
CSGQGLBCAHGJDR-GJZGRUSLSA-N
InChI Key
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
Boiling Point
457.1±30.0 °C(Predicted)
Melting Point
154-156 °C-lit.
Appearance
White crystalline
Complexity
419
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
301.17902698
H-Bond Acceptor
5
Heavy Atom Count
22
Isomeric SMILES
CC(C)[C@@H]1COC(=N1)C2=NC(=CC=C2)C3=N[C@@H](CO3)C(C)C
Monoisotopic Mass
301.17902698
Rotatable Bond Count
4
Topological Polar Surface Area
56.1 Ų
UNII
7JMD4LB64Z
