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1172804-59-9 | METHYL 6-(1-ETHYL-1H-PYRAZOL-3-YL)-3-METHYLISOXAZOLO[5,4-B]PYRIDINE-4-CAR+
CAS No: 1172804-59-9 Catalog No: AG01AOD4 MDL No:MFCD09701861
Product Description
Catalog Number:
AG01AOD4
Chemical Name:
METHYL 6-(1-ETHYL-1H-PYRAZOL-3-YL)-3-METHYLISOXAZOLO[5,4-B]PYRIDINE-4-CAR+
CAS Number:
1172804-59-9
Molecular Formula:
C14H14N4O3
Molecular Weight:
286.2860
MDL Number:
MFCD09701861
IUPAC Name:
methyl 6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
InChI:
InChI=1S/C14H14N4O3/c1-4-18-6-5-10(16-18)11-7-9(14(19)20-3)12-8(2)17-21-13(12)15-11/h5-7H,4H2,1-3H3
InChI Key:
XLUCOIBIFIPGLC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(nc2c1c(C)no2)c1ccn(n1)CC
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.291g/mol
Monoisotopic Mass:
286.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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