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108915-07-7 | Pyridine, 2-[4,5-dihydro-4-(2-methylpropyl)-2-oxazolyl]-, (S)-
CAS No: 108915-07-7 Catalog No: AG007BO5 MDL No:
Product Description
Catalog Number:
AG007BO5
Chemical Name:
Pyridine, 2-[4,5-dihydro-4-(2-methylpropyl)-2-oxazolyl]-, (S)-
CAS Number:
108915-07-7
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
IUPAC Name:
(4S)-4-(2-methylpropyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C12H16N2O/c1-9(2)7-10-8-15-12(14-10)11-5-3-4-6-13-11/h3-6,9-10H,7-8H2,1-2H3/t10-/m0/s1
InChI Key:
MFEIEQDUFOSLGN-JTQLQIEISA-N
SMILES:
CC(C[C@H]1COC(=N1)c1ccccn1)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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