666412 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 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 1 1 2 2 3 3 4 5 5 6 6 6 8 8 9 9 10 11 12 12 13 13 14 15 15 16 17 17 18 19 19 19 4 11 10 19 7 11 7 16 18 7 8 9 10 20 13 21 14 12 15 16 14 22 23 17 24 25 18 26 27 28 29 30 1 1 1 1 1 2 2 1 2 1 2 1 1 1 2 1 2 1 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 30 5.1701 2.938 3.8611 5.4791 2 4.6701 4.6701 3.8041 5.5361 3.8041 4.1701 3.5823 5.5361 4.6701 3.989 2.5878 3.4013 2.4067 2.938 3.2671 6.073 6.073 4.6701 4.6056 2.3356 3.6534 2.0423 2.318 2.938 3.558 1.5036 -3.0352 0.5526 0.5526 3.0171 -1.0352 -0.0352 -1.5352 -1.5352 -2.5352 1.5036 2.3126 -2.5352 -3.0352 3.2262 2.2081 4.0352 3.9307 -4.0352 -1.2252 -1.2252 -2.8452 -3.6552 3.291 1.6417 4.6016 4.4323 -4.0352 -4.6552 -4.0352 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 5 5 6 6 8 9 10 12 12 13 15 17 4 11 7 11 7 16 18 8 9 10 13 14 15 16 14 17 18 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 290 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 00000371C07330000000000000000000000000000001600000003C400000000000000001F000001E00040000000C04C19B063F9696181400A902337776008288293522A029D8213E6CD88C2EFAC4FD9B8431A866C513C8E9C7B8D1120E00000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-methoxyphenyl)-5-(3-pyridyl)-1,2,4-oxadiazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-oxadiazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-oxadiazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(3-methoxyphenyl)-5-(3-pyridyl)-1,2,4-oxadiazole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H11N3O2/c1-18-12-6-2-4-10(8-12)13-16-14(19-17-13)11-5-3-7-15-9-11/h2-9H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DDVVNKRYLQKSGG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.085126602 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H11N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.26 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C2=NOC(=N2)C3=CN=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC(=C1)C2=NOC(=N2)C3=CN=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 61 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 253.085126602 19 0 0 0 0 0 0 0 1 -1