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132098-54-5 | Oxazole, 2,2'-methylenebis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4S,4'S)-
CAS No: 132098-54-5 Catalog No: AG00106K MDL No:MFCD00192290
Product Description
Catalog Number:
AG00106K
Chemical Name:
Oxazole, 2,2'-methylenebis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4S,4'S)-
CAS Number:
132098-54-5
Molecular Formula:
C15H26N2O2
Molecular Weight:
266.3791
MDL Number:
MFCD00192290
IUPAC Name:
(4S)-4-tert-butyl-2-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C15H26N2O2/c1-14(2,3)10-8-18-12(16-10)7-13-17-11(9-19-13)15(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11-/m1/s1
InChI Key:
WCCCBUXURHZPQL-GHMZBOCLSA-N
SMILES:
CC([C@H]1COC(=N1)CC1=N[C@H](CO1)C(C)(C)C)(C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
266.199g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.385g/mol
Monoisotopic Mass:
266.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 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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