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1247885-34-2 | 4H-Oxazolo[4,5-c]azepine, 5,6,7,8-tetrahydro-8-Methyl-2-(2-pyridinyl)-
CAS No: 1247885-34-2 Catalog No: AG000MQS MDL No:
Product Description
Catalog Number:
AG000MQS
Chemical Name:
4H-Oxazolo[4,5-c]azepine, 5,6,7,8-tetrahydro-8-Methyl-2-(2-pyridinyl)-
CAS Number:
1247885-34-2
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
8-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine
InChI:
InChI=1S/C13H15N3O/c1-9-5-7-14-8-11-12(9)17-13(16-11)10-4-2-3-6-15-10/h2-4,6,9,14H,5,7-8H2,1H3
InChI Key:
DBALDJNUIDSXOB-UHFFFAOYSA-N
SMILES:
CC1CCNCc2c1oc(n2)c1ccccn1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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