838877 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 36 8 7 7 7 6 6 6 6 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 1 1 1 1 2 2 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 11 13 13 14 14 15 16 16 17 17 18 19 20 20 21 21 22 22 23 3 12 12 15 15 18 23 7 8 9 10 11 12 13 14 10 24 11 25 26 27 16 28 17 29 18 19 30 19 31 20 32 21 33 22 34 23 35 36 1 1 2 1 2 1 2 1 2 1 2 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 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 32 33 34 35 36 5.4791 3.8611 5.1701 2.5878 4.6701 4.6701 4.6701 5.5361 3.8041 5.5361 3.8041 4.6701 5.5361 3.8041 4.1701 5.5361 3.8041 3.5823 4.6701 3.989 3.4013 2.4067 2 6.073 3.2671 6.073 3.2671 6.073 3.2671 6.073 3.2671 4.6701 4.6056 3.6534 2.0423 1.3834 1.5526 1.5526 2.5036 3.2081 -2.0352 -0.0352 -3.0352 -1.5352 -1.5352 -0.5352 -0.5352 0.9648 -3.5352 -3.5352 2.5036 -4.5352 -4.5352 3.3126 -5.0352 4.2262 5.0352 4.9307 4.0171 -1.8452 -1.8452 -0.2252 -0.2252 -3.2252 -3.2252 -4.8452 -4.8452 -5.6552 4.291 5.6016 5.4323 3.9523 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 4 4 5 5 6 6 7 7 8 9 13 14 16 17 18 20 21 22 3 12 12 15 15 18 23 8 9 10 11 13 14 10 11 16 17 19 19 20 21 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 364 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 00000371C07B20000000000000000000000000000001600000003C608000000000000001F400001E00040000000C08C19F043D9096181000A903377776008280293502A029D821386CD8886EF2C09D9194310864C503C8C98798C8F08EC0000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-phenylphenyl)-3-(2-pyridyl)-1,2,4-oxadiazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-phenylphenyl)-3-(2-pyridinyl)-1,2,4-oxadiazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(4-phenylphenyl)-3-(2-pyridyl)-1,2,4-oxadiazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H13N3O/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)19-21-18(22-23-19)17-8-4-5-13-20-17/h1-13H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QWGJENMOSGJVGI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 299.105862047 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H13N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 299.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=CC=N4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=CC=N4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 51.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 299.105862047 23 0 0 0 0 0 0 0 1 -1