Free Chemical Databases
-
[Synonyms]
NSC71278
[Structure]
[ Properties Computed from Structure]
Molecular Weight 322.35628 [g/mol] Molecular Formula C16H22N2O5 XLogP 0.6 H-Bond Donor 0 H-Bond Acceptor 7 Rotatable Bond Count 5 Tautomer Count 3 Exact Mass 322.152872 MonoIsotopic Mass 322.152872 Topological Polar Surface Area 81.9 Heavy Atom Count 23 Formal Charge 0 Complexity 438 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: methyl
5-[morpholin-4-yl-(2-oxocyclohexyl)methyl]-1,2-oxazole-3-carboxylate
Canonical SMILES: COC(=O)C1=NOC(=C1)C(C2CCCCC2=O)N3CCOCC3
InChI: InChI=1/C16H22N2O5/c1-21-16(20)12-10-14(23-17-12)15(18-6-8-22-9-7-18)11-
4-2-3-5-13(11)19/h10-11,15H,2-9H2,1H3
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