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88584-25-2 | 4-Oxazolecarboxamide, 5-ethoxy-N-(iminomethyl)-2-phenyl-
CAS No: 88584-25-2 Catalog No: AG008BBS MDL No:
Product Description
Catalog Number:
AG008BBS
Chemical Name:
4-Oxazolecarboxamide, 5-ethoxy-N-(iminomethyl)-2-phenyl-
CAS Number:
88584-25-2
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
IUPAC Name:
N-(aminomethylidene)-5-ethoxy-2-phenyl-1,3-oxazole-4-carboxamide
InChI:
InChI=1S/C13H13N3O3/c1-2-18-13-10(11(17)15-8-14)16-12(19-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,14,15,17)
InChI Key:
ZCXFXMPLSXLPGE-UHFFFAOYSA-N
SMILES:
N=CNC(=O)c1nc(oc1OCC)c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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