34521 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 8 8 8 7 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 2 2 3 4 4 4 5 5 5 6 6 7 7 8 8 10 10 11 11 12 12 13 13 14 15 15 15 5 9 8 25 9 6 7 9 6 8 16 17 18 10 11 19 20 12 21 13 22 14 15 14 23 24 26 27 28 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 5 1 6 8 16 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 3.2601 4.4411 2 3.7601 4.2601 4.5691 3.7601 4.8479 2.9511 2.894 4.6261 2.894 4.6261 3.7601 2.028 3.9786 4.8791 5.1355 5.2786 5.3619 2.3571 5.163 5.163 3.7601 4.8056 1.718 1.4911 2.338 1.1573 2.8799 -0.1027 -0.3815 1.1573 0.2063 -1.3815 1.9664 0.2063 -1.8815 -1.8815 -2.8815 -2.8815 -3.3815 -3.3815 1.7098 -0.3306 0.4585 1.5204 2.3131 -1.5715 -1.5715 -3.1915 -4.0015 3.3815 -2.8446 -3.6915 -3.9184 3 8 8 8 8 8 8 5 7 7 10 11 12 13 8 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 2021.10.14 244 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723000000000000000000000000000000160000000300000000000000000010000001E00000800000C1CE1980632C8830006008802244258008200002102000888000864880B3022C091918D6008628600DBC8071080000E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(hydroxymethyl)-3-(m-tolyl)oxazolidin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(hydroxymethyl)-3-(3-methylphenyl)-2-oxazolidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylol-3-(m-tolyl)oxazolidin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MXUNKHLAEDCYJL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 207.08954328 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H13NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 207.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC=C1)N2CC(OC2=O)CO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC=C1)N2CC(OC2=O)CO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 207.08954328 15 1 0 1 0 0 0 0 1 -1