53610737 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 17 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 7 7 7 9 9 9 11 12 12 13 13 14 14 15 15 16 16 17 18 19 19 20 18 8 10 11 7 11 12 6 8 10 8 21 22 10 15 16 13 14 23 17 24 17 25 18 26 19 27 28 20 20 29 30 1 1 1 2 1 1 1 1 2 2 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 2 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 2 4.5411 5.9954 4.4131 3.232 2.923 4.8198 4.232 3.732 3.732 5.0009 3.4186 4.5942 3.0118 2.866 4.5981 3.5996 2.866 4.5981 3.732 5.2505 5.3338 3.0542 4.9586 2.3952 2.3291 5.135 3.3474 5.135 3.732 -4.0442 -0.4565 2.9216 2.2172 0.4946 -0.4565 1.3036 0.4946 -2.0442 -1.0442 3.0262 2.3217 3.9397 3.2352 -2.5442 -2.5442 4.0442 -3.5442 -3.5442 -4.0442 0.8576 1.6503 1.8201 4.4413 3.3 -2.2342 -2.2342 4.6106 -3.8542 -4.6642 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 5 6 9 9 11 12 13 14 15 16 18 19 8 10 11 12 6 8 10 15 16 13 14 17 17 18 19 20 20 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 427 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073300004000000000000000000000000016000000030400000000000000001C000001E02080000000C02C19A24300083000440AA02217650009200002C07001A8821B80ED80A66B281B7399B310064CE0198A98798C8208E00000020000000000000004000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-pyridone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H10ClN3O2/c15-11-5-3-4-10(8-11)14-17-16-12(20-14)9-18-7-2-1-6-13(18)19/h1-8H,9H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZYMJIAVFOPMTRS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.0461543 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H10ClN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.70 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=O)N(C=C1)CC2=NN=C(O2)C3=CC(=CC=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=O)N(C=C1)CC2=NN=C(O2)C3=CC(=CC=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 59.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 287.0461543 20 0 0 0 0 0 0 0 1 -1