180591 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 32 33 34 35 17 8 8 8 8 7 7 6 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 2 2 3 4 4 5 6 6 6 7 7 8 8 8 9 9 10 10 12 12 13 14 14 15 15 16 16 17 17 17 18 19 20 20 20 18 9 11 11 16 20 13 7 8 11 10 13 9 21 22 23 24 12 14 15 17 16 18 25 19 26 27 28 29 30 31 19 32 33 34 35 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 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 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 5.4641 6.1808 5.7195 2 2 4.5981 3.732 4.7026 5.6808 3.732 5.5116 2.866 2.866 4.5981 2.866 2.866 2 4.5981 3.732 2 4.6378 4.0826 6.2472 5.4892 5.135 2.3291 3.4766 3.0781 2.31 1.4631 1.69 3.732 2.62 2 1.38 -3 0.8364 -0.8849 2 0 0.5 0 1.4945 1.7024 -1 0.0933 -1.5 0.5 -1.5 -2.5 1.5 -1 -2.5 -3 3 2.1111 1.4945 1.9546 2.2921 -1.19 -2.81 1.3923 2.0826 -0.4631 -0.69 -1.5369 -3.62 3 3.62 3 8 8 8 8 8 8 10 10 12 14 15 18 12 14 15 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 379 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371C0733800040000000000000000000000000160000000300000000000000000010000001E02080000000C0AE1982632C8820004008802255258028204002107001A88004866880A2022C193958D2008608600D8C8071080000E04000000020200000800000004040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-chloro-2-methyl-phenyl)-2-methoxy-N-(2-oxooxazolidin-3-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-chloro-2-methylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(5-chloro-2-methylphenyl)-2-methoxy-<I>N</I>-(2-oxo-1,3-oxazolidin-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-chloro-2-methylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-chloranyl-2-methyl-phenyl)-2-methoxy-N-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-chloro-2-methyl-phenyl)-N-(2-ketooxazolidin-3-yl)-2-methoxy-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H15ClN2O4/c1-9-3-4-10(14)7-11(9)16(12(17)8-19-2)15-5-6-20-13(15)18/h3-4,7H,5-6,8H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BLTYDNMJPPGTPY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 298.0720347 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H15ClN2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 298.72 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C=C(C=C1)Cl)N(C(=O)COC)N2CCOC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C=C(C=C1)Cl)N(C(=O)COC)N2CCOC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 298.0720347 20 0 0 0 0 0 0 0 1 -1