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88057-01-6 | 5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-5-methyl-3-phenyl-
CAS No: 88057-01-6 Catalog No: AG004IHG MDL No:
Product Description
Catalog Number:
AG004IHG
Chemical Name:
5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-5-methyl-3-phenyl-
CAS Number:
88057-01-6
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
IUPAC Name:
5-methyl-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
InChI:
InChI=1S/C15H18N2O/c1-15(11-16)9-5-8-14-17(15)13(10-18-14)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3
InChI Key:
IRBVFQKMUXPOGU-UHFFFAOYSA-N
SMILES:
N#CC1(C)CCCC2N1C(CO2)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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