670263 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 8 8 8 7 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 2 2 3 4 4 4 5 6 6 6 8 9 9 10 10 11 11 12 13 14 14 15 16 16 16 17 17 17 5 15 11 17 7 7 8 20 8 7 9 10 14 12 18 13 19 12 13 21 22 15 23 16 24 25 26 27 28 29 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 2 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 4.232 2.866 2 3.732 4.5411 2.866 2.866 3.732 2 3.732 2.866 2 3.732 2.923 3.232 2.6443 2 1.4631 4.269 4.269 1.4631 4.269 2.3334 3.1459 2.2798 2.1427 1.69 1.4631 2.31 3.3649 -3.6739 0.8261 0.8261 2.4139 -0.6739 0.3261 1.8261 -1.1739 -1.1739 -2.6739 -2.1739 -2.1739 2.4139 3.3649 4.1739 -4.1739 -0.8639 -0.8639 0.5161 -2.4839 -2.4839 2.2223 4.5384 4.6755 3.8095 -3.637 -4.4839 -4.7109 8 8 8 8 8 8 8 8 8 8 8 1 1 5 6 6 8 9 10 11 11 14 5 15 8 9 10 14 12 13 12 13 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 265 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 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 00000371C073300000000000000000000000000000016000000030000000000000000001C000001E00140000000C04819A0233B692D00400A902A3727200820800252200299821366CDA8C263AC4BD9B8431A866D51BC8E9C798DC02CE20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-(5-methylisoxazol-3-yl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-<I>N</I>-(5-methyl-1,2-oxazol-3-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methoxy-N-(5-methylisoxazol-3-yl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H12N2O3/c1-8-7-11(14-17-8)13-12(15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NCSMCVZNYCCOGI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.08479225 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H12N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 64.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.08479225 17 0 0 0 0 0 0 0 1 -1