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1254962-95-2 | 3-Pyridinecarboxylic acid, 6-[[(3-butyl-5-methyl-4-isoxazolyl)methyl]amino]-, methyl ester
CAS No: 1254962-95-2 Catalog No: AG000NQ5 MDL No:
Product Description
Catalog Number:
AG000NQ5
Chemical Name:
3-Pyridinecarboxylic acid, 6-[[(3-butyl-5-methyl-4-isoxazolyl)methyl]amino]-, methyl ester
CAS Number:
1254962-95-2
Molecular Formula:
C16H21N3O3
Molecular Weight:
303.3562
IUPAC Name:
methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate
InChI:
InChI=1S/C16H21N3O3/c1-4-5-6-14-13(11(2)22-19-14)10-18-15-8-7-12(9-17-15)16(20)21-3/h7-9H,4-6,10H2,1-3H3,(H,17,18)
InChI Key:
GVANIIVBZLBLOY-UHFFFAOYSA-N
SMILES:
CCCCc1noc(c1CNc1ccc(cn1)C(=O)OC)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.362g/mol
Monoisotopic Mass:
303.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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