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88584-32-1 | Isoxazolo[4,5-b]pyridine, 4,5-dihydro-3-methyl-5,6-diphenyl-
CAS No: 88584-32-1 Catalog No: AG004DI5 MDL No:
Product Description
Catalog Number:
AG004DI5
Chemical Name:
Isoxazolo[4,5-b]pyridine, 4,5-dihydro-3-methyl-5,6-diphenyl-
CAS Number:
88584-32-1
Molecular Formula:
C19H16N2O
Molecular Weight:
288.3431
IUPAC Name:
3-methyl-5,6-diphenyl-4,5-dihydro-[1,2]oxazolo[4,5-b]pyridine
InChI:
InChI=1S/C19H16N2O/c1-13-18-17(22-21-13)12-16(14-8-4-2-5-9-14)19(20-18)15-10-6-3-7-11-15/h2-12,19-20H,1H3
InChI Key:
BCOHBXCVXCHNPG-UHFFFAOYSA-N
SMILES:
Cc1noc2c1NC(c1ccccc1)C(=C2)c1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.35g/mol
Monoisotopic Mass:
288.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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