15459 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 7 7 9 9 10 10 11 11 12 12 13 13 14 15 15 15 16 16 16 5 8 7 9 8 6 8 22 6 7 17 18 19 20 21 10 11 12 23 13 24 14 15 14 16 25 26 27 28 29 30 31 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 5 1 6 7 17 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 5.4071 3.732 5.6859 4.0981 4.5981 3.7891 4.5981 5.0981 3.732 4.5981 2.866 4.5981 2.866 3.732 5.4641 2 5.1505 3.2227 3.4791 4.8101 5.2087 3.7336 5.135 2.3291 3.732 5.1541 6.001 5.7741 1.69 1.4631 2.31 1.6639 -0.4239 3.4239 2.6149 1.0761 1.6639 0.0761 2.6149 -1.4239 -1.9239 -1.9239 -2.9239 -2.9239 -3.4239 -3.4239 -3.4239 0.7946 1.916 1.1269 -0.5065 0.1837 3.1165 -1.6139 -1.6139 -4.0439 -3.9609 -3.7339 -2.887 -2.887 -3.7339 -3.9609 3 8 8 8 8 8 8 5 9 9 10 11 12 13 7 10 11 12 13 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 247 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723000000000000000000000000000000160000000300000000000000000010000001E00100000000C14E19806320E82C004008802204218000208002020000088800E08890F262284311A8F3820A6D6111AA80780C0500E00000300000000000000060000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3,5-dimethylphenoxy)methyl]oxazolidin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3,5-dimethylphenoxy)methyl]-2-oxazolidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[(3,5-dimethylphenoxy)methyl]oxazolidin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IMWZZHHPURKASS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 221.10519334 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H15NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 221.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 47.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 221.10519334 16 1 0 1 0 0 0 0 1 -1