805087 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 17 8 8 7 7 7 6 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 8 8 8 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 9 11 10 10 11 24 6 9 11 9 12 13 10 14 15 16 22 17 23 18 25 19 26 20 27 20 28 21 29 21 30 31 1 1 1 2 1 1 1 1 2 2 1 2 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 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 3.8041 3.8611 2.938 4.6701 5.1701 5.4791 3.5823 3.8041 4.1701 3.8041 4.6701 3.989 2.5878 2.938 4.6701 3.4013 2 2.938 4.6701 2.4067 3.8041 4.6056 2.3356 5.207 2.4011 5.207 3.6534 1.3834 2.4011 5.207 2.0423 -4.7852 1.3026 -0.2852 -0.2852 2.2536 1.3026 3.0626 -1.7852 2.2536 -0.7852 0.7148 3.9762 2.9581 -2.2852 -2.2852 4.7852 3.7671 -3.2852 -3.2852 4.6807 -3.7852 4.041 2.3917 -0.5952 -1.9752 -1.9752 5.3516 3.7023 -3.5952 -3.5952 5.1823 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 6 7 7 8 8 12 13 14 15 16 17 18 19 9 11 6 9 11 12 13 14 15 16 17 18 19 20 20 21 21 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 355 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 1 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 00000371C073300004000000000000000000000000016000000030600000000000000001D000001E02180000000C02819A20311082C00440AA02217230009200022C05001F8821200ED98826B281BF198C310874CD2308A98798C8208E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-chloro-<I>N</I>-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-chloranyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YZLBFDGNVDNPIB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.0461543 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H10ClN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.71 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 68 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.0461543 21 0 0 0 0 0 0 0 1 -1