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199277-80-0 | Pyridine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methyl-
CAS No: 199277-80-0 Catalog No: AG002BZT MDL No:MFCD11558945
Product Description
Catalog Number:
AG002BZT
Chemical Name:
Pyridine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methyl-
CAS Number:
199277-80-0
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD11558945
IUPAC Name:
(4S)-4-tert-butyl-2-(6-methylpyridin-2-yl)-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C13H18N2O/c1-9-6-5-7-10(14-9)12-15-11(8-16-12)13(2,3)4/h5-7,11H,8H2,1-4H3/t11-/m1/s1
InChI Key:
NHWBZSGKOQHPDW-LLVKDONJSA-N
SMILES:
Cc1cccc(n1)C1=N[C@H](CO1)C(C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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