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118949-62-5 | Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-[(1S)-1-methylpropyl]-2-oxazolyl]-
CAS No: 118949-62-5 Catalog No: AG00780H MDL No:
Product Description
Catalog Number:
AG00780H
Chemical Name:
Pyridine, 2,6-bis[(4S)-4,5-dihydro-4-[(1S)-1-methylpropyl]-2-oxazolyl]-
CAS Number:
118949-62-5
Molecular Formula:
C19H27N3O2
Molecular Weight:
329.4366
IUPAC Name:
(4S)-4-[(2S)-butan-2-yl]-2-[6-[(4S)-4-[(2S)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C19H27N3O2/c1-5-12(3)16-10-23-18(21-16)14-8-7-9-15(20-14)19-22-17(11-24-19)13(4)6-2/h7-9,12-13,16-17H,5-6,10-11H2,1-4H3/t12-,13-,16+,17+/m0/s1
InChI Key:
LFHBTGPZRLYINH-WRFANHODSA-N
SMILES:
CC[C@@H]([C@H]1COC(=N1)c1cccc(n1)C1=N[C@H](CO1)[C@H](CC)C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
329.21g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.444g/mol
Monoisotopic Mass:
329.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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