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1071369-53-3 | 2-(1,4-Diazepan-1-yl)oxazolo[5,4-b]pyridine
CAS No: 1071369-53-3 Catalog No: AG0094HH MDL No:MFCD11696403
Product Description
Catalog Number:
AG0094HH
Chemical Name:
2-(1,4-Diazepan-1-yl)oxazolo[5,4-b]pyridine
CAS Number:
1071369-53-3
Molecular Formula:
C11H14N4O
Molecular Weight:
218.2551
MDL Number:
MFCD11696403
IUPAC Name:
2-(1,4-diazepan-1-yl)-[1,3]oxazolo[5,4-b]pyridine
InChI:
InChI=1S/C11H14N4O/c1-3-9-10(13-5-1)16-11(14-9)15-7-2-4-12-6-8-15/h1,3,5,12H,2,4,6-8H2
InChI Key:
JQIDNOGDORBKGQ-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)c1oc2c(n1)cccn2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.26g/mol
Monoisotopic Mass:
218.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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