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1035840-54-0 | 2-(1,4-diazepan-1-yl)-5-methyl[1,3]oxazolo[4,5-b]pyridine
CAS No: 1035840-54-0 Catalog No: AG008VHG MDL No:MFCD09701646
Product Description
Catalog Number:
AG008VHG
Chemical Name:
2-(1,4-diazepan-1-yl)-5-methyl[1,3]oxazolo[4,5-b]pyridine
CAS Number:
1035840-54-0
Molecular Formula:
C12H16N4O
Molecular Weight:
232.2816
MDL Number:
MFCD09701646
IUPAC Name:
2-(1,4-diazepan-1-yl)-5-methyl-[1,3]oxazolo[4,5-b]pyridine
InChI:
InChI=1S/C12H16N4O/c1-9-3-4-10-11(14-9)15-12(17-10)16-7-2-5-13-6-8-16/h3-4,13H,2,5-8H2,1H3
InChI Key:
HLUSEEWUHPAITI-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)nc(o2)N1CCNCCC1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.287g/mol
Monoisotopic Mass:
232.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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