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111831-80-2 | Oxazolo[4,5-b]pyridine, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 111831-80-2 Catalog No: AG0081Q9 MDL No:
Product Description
Catalog Number:
AG0081Q9
Chemical Name:
Oxazolo[4,5-b]pyridine, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
111831-80-2
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
2-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
InChI:
InChI=1S/C16H16N2O/c1-16(2,3)12-8-6-11(7-9-12)15-18-14-13(19-15)5-4-10-17-14/h4-10H,1-3H3
InChI Key:
LVECYUSZALPZEA-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nc2c(o1)cccn2)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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