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88056-94-4 | 5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-3-phenyl-5-propyl-
CAS No: 88056-94-4 Catalog No: AG004LCP MDL No:
Product Description
Catalog Number:
AG004LCP
Chemical Name:
5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-3-phenyl-5-propyl-
CAS Number:
88056-94-4
Molecular Formula:
C17H22N2O
Molecular Weight:
270.3694
IUPAC Name:
3-phenyl-5-propyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
InChI:
InChI=1S/C17H22N2O/c1-2-10-17(13-18)11-6-9-16-19(17)15(12-20-16)14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-12H2,1H3
InChI Key:
ZUWVBHVTCOGDMY-UHFFFAOYSA-N
SMILES:
CCCC1(C#N)CCCC2N1C(CO2)c1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.376g/mol
Monoisotopic Mass:
270.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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