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88584-28-5 | 4-Oxazolecarboxamide, 5-ethoxy-N-(imino-2-pyridinylmethyl)-2-phenyl-
CAS No: 88584-28-5 Catalog No: AG004BO0 MDL No:
Product Description
Catalog Number:
AG004BO0
Chemical Name:
4-Oxazolecarboxamide, 5-ethoxy-N-(imino-2-pyridinylmethyl)-2-phenyl-
CAS Number:
88584-28-5
Molecular Formula:
C18H16N4O3
Molecular Weight:
336.3446
IUPAC Name:
N-[amino(pyridin-2-yl)methylidene]-5-ethoxy-2-phenyl-1,3-oxazole-4-carboxamide
InChI:
InChI=1S/C18H16N4O3/c1-2-24-18-14(21-17(25-18)12-8-4-3-5-9-12)16(23)22-15(19)13-10-6-7-11-20-13/h3-11H,2H2,1H3,(H2,19,22,23)
InChI Key:
VCOAXQHBYQOYIE-UHFFFAOYSA-N
SMILES:
CCOc1oc(nc1C(=O)NC(=N)c1ccccn1)c1ccccc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.351g/mol
Monoisotopic Mass:
336.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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