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1000930-03-9 | 1,3-dimethyl-1-{3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl}urea
CAS No: 1000930-03-9 Catalog No: AG01DUW5 MDL No:MFCD10580843
Product Description
Catalog Number:
AG01DUW5
Chemical Name:
1,3-dimethyl-1-{3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl}urea
CAS Number:
1000930-03-9
Molecular Formula:
C11H12N4O3
Molecular Weight:
248.2380
MDL Number:
MFCD10580843
IUPAC Name:
N,3-dimethyl-N-(methylcarbamoyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
InChI:
InChI=1S/C11H12N4O3/c1-6-8-4-7(5-13-9(8)18-14-6)10(16)15(3)11(17)12-2/h4-5H,1-3H3,(H,12,17)
InChI Key:
JPIGBCHRVTUNBE-UHFFFAOYSA-N
SMILES:
CNC(=O)N(C(=O)c1cnc2c(c1)c(C)no2)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.242g/mol
Monoisotopic Mass:
248.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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