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118949-61-4 | 2,6-Bis((S);-4-isopropyl-4,5-dihydrooxazol-2-yl);pyridine
CAS No: 118949-61-4 Catalog No: AG003COX MDL No:MFCD01312571
Product Description
Catalog Number:
AG003COX
Chemical Name:
2,6-Bis((S);-4-isopropyl-4,5-dihydrooxazol-2-yl);pyridine
CAS Number:
118949-61-4
Molecular Formula:
C17H23N3O2
Molecular Weight:
301.3834
MDL Number:
MFCD01312571
IUPAC Name:
(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
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
InChI Key:
CSGQGLBCAHGJDR-HUUCEWRRSA-N
SMILES:
CC([C@H]1COC(=N1)c1cccc(n1)C1=N[C@H](CO1)C(C)C)C
UNII:
C1A0B1BVRW
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
301.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.39g/mol
Monoisotopic Mass:
301.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Nona-coordinated chiral Eu(III) complexes with stereoselective ligand-ligand noncovalent interactions for enhanced circularly polarized luminescence. | Inorganic chemistry 20120618 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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