25022239 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 6 6 6 7 7 7 9 9 9 10 10 10 7 11 8 11 12 8 11 12 12 19 20 8 9 10 16 17 18 13 14 15 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 3.2601 5.5202 2 4.6261 3.7601 2.894 4.2601 4.5691 4.2601 5.2111 2.9511 3.7601 5.4027 5.8008 5.0195 4.8801 4.2601 3.6401 2.894 2.3571 1.3294 0.0693 0.0693 -1.7094 -0.2094 -1.7094 1.3294 0.3784 2.3294 1.6384 0.3784 -1.2094 1.0488 1.83 2.2281 2.3294 2.9494 2.3294 -2.3294 -1.3994 0 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.372 Cactvs xemistry.com 2010.07.16 271 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.372 Cactvs xemistry.com 2010.07.16 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.372 Cactvs xemistry.com 2010.07.16 1 Count Rotatable Bond 5 E_NROTBONDS 3.372 Cactvs xemistry.com 2010.07.16 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.372 Cactvs xemistry.com 2010.07.16 00000371C0633800000000000000000000000000000160000000000000000000000000000000001E00100000000C448180000308034004000800011018020000000000000000014000008200000000040D00000005221000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.0 LexiChem openeye.com 2010.07.16 5,5-dimethyl-2,4-dioxo-oxazolidine-3-carboxamide IUPAC Name CAS-like Style 1 2.0.0 LexiChem openeye.com 2010.07.16 5,5-dimethyl-2,4-dioxo-3-oxazolidinecarboxamide IUPAC Name Preferred 1 2.0.0 LexiChem openeye.com 2010.07.16 5,5-dimethyl-2,4-dioxo-1,3-oxazolidine-3-carboxamide IUPAC Name Systematic 1 2.0.0 LexiChem openeye.com 2010.07.16 5,5-dimethyl-2,4-bis(oxidanylidene)-1,3-oxazolidine-3-carboxamide IUPAC Name Traditional 1 2.0.0 LexiChem openeye.com 2010.07.16 2,4-diketo-5,5-dimethyl-oxazolidine-3-carboxamide InChI Standard 1 1.0.3 InChI nist.gov 2010.07.16 InChI=1S/C6H8N2O4/c1-6(2)3(9)8(4(7)10)5(11)12-6/h1-2H3,(H2,7,10) InChIKey Standard 1 1.0.3 InChI nist.gov 2010.07.16 QCVGEOXPDFCNHA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2010.07.16 0.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2010.07.16 172.048407 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2010.07.16 C6H8N2O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2010.07.16 172.13872 SMILES Canonical 1 1.7.2 OEChem openeye.com 2010.07.16 CC1(C(=O)N(C(=O)O1)C(=O)N)C SMILES Isomeric 1 1.7.2 OEChem openeye.com 2010.07.16 CC1(C(=O)N(C(=O)O1)C(=O)N)C Topological Polar Surface Area 7 E_TPSA 3.372 Cactvs xemistry.com 2010.07.16 89.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2010.07.16 172.048407 12 0 0 0 0 0 0 0 1 2