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118949-63-6 | 2,6-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)pyridine
CAS No: 118949-63-6 Catalog No: AG00780G MDL No:MFCD07368372
Product Description
Catalog Number:
AG00780G
Chemical Name:
2,6-Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)pyridine
CAS Number:
118949-63-6
Molecular Formula:
C19H27N3O2
Molecular Weight:
329.4366
MDL Number:
MFCD07368372
IUPAC Name:
(4S)-4-tert-butyl-2-[6-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C19H27N3O2/c1-18(2,3)14-10-23-16(21-14)12-8-7-9-13(20-12)17-22-15(11-24-17)19(4,5)6/h7-9,14-15H,10-11H2,1-6H3/t14-,15-/m1/s1
InChI Key:
UBWMXPSQXYYPJG-HUUCEWRRSA-N
SMILES:
CC([C@H]1COC(=N1)c1cccc(n1)C1=N[C@H](CO1)C(C)(C)C)(C)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
4
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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