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ZINC03442621,T5302106, (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-1-ben

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摘 要:ZINC03442621,T5302106, (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-1-benzofuran-2-carboxylate,Canonical SMILES: CC1=C(OC2=CC=CC=C12)C(=O)OCC3=NC=C(O3)C4=CC=CC=C4,InChI: InChI=1/C20H15NO4/c1-13-15-9-5-6-10-16(15)25-19(13)20(22)23-12-18-21-11-,17(24-18)1
[Synonyms]
ZINC03442621
T5302106

[Structure]
ZINC03442621,T5302106, (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-1-ben

[ Properties Computed from Structure]
Molecular Weight333.3374 [g/mol]
Molecular FormulaC20H15NO4
XLogP3.7
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count5
Exact Mass333.100108
MonoIsotopic Mass333.100108
Topological Polar Surface Area65.5
Heavy Atom Count25
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 3-methyl-1-benzofuran-2-carboxylate
Canonical SMILES: CC1=C(OC2=CC=CC=C12)C(=O)OCC3=NC=C(O3)C4=CC=CC=C4
InChI: InChI=1/C20H15NO4/c1-13-15-9-5-6-10-16(15)25-19(13)20(22)23-12-18-21-11-
17(24-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3

 
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