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ZINC02616356,T5268342, (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalen

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摘 要:ZINC02616356,T5268342, (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate,Canonical SMILES: CC1=C(C(=NO1)C)COC(=O)C2=CC3=CC=CC=C3C=C2,InChI: InChI=1/C17H15NO3/c1-11-16(12(2)21-18-11)10-20-17(19)15-8-7-13-5-3-4-6-,14(13)9-15/h3-9H,10H2,1-2
[Synonyms]
ZINC02616356
T5268342

[Structure]
ZINC02616356,T5268342, (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalen

[ Properties Computed from Structure]
Molecular Weight281.3059 [g/mol]
Molecular FormulaC17H15NO3
XLogP4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass281.105193
MonoIsotopic Mass281.105193
Topological Polar Surface Area52.3
Heavy Atom Count21
Formal Charge0
Complexity373
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: (3,5-dimethyl-1,2-oxazol-4-yl)methyl naphthalene-2-carboxylate
Canonical SMILES: CC1=C(C(=NO1)C)COC(=O)C2=CC3=CC=CC=C3C=C2
InChI: InChI=1/C17H15NO3/c1-11-16(12(2)21-18-11)10-20-17(19)15-8-7-13-5-3-4-6-
14(13)9-15/h3-9H,10H2,1-2H3

 
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