702070 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 7 7 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 2 3 4 4 5 6 6 6 7 7 8 8 9 10 10 11 11 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 12 23 3 9 11 7 5 12 23 23 35 36 8 10 9 12 24 13 14 15 16 17 25 18 26 19 27 20 28 21 29 21 30 22 31 22 32 33 34 1 1 1 1 1 2 1 2 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 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 31 32 33 34 35 36 7.2392 4.1701 3.8611 6.7392 7.7392 8.9993 4.6701 5.4791 5.1701 4.6701 3.5823 6.4302 5.5361 3.8041 3.989 2.5878 5.5361 3.8041 3.4013 2 4.6701 2.4067 8.0482 5.5345 6.073 3.2671 4.6056 2.3356 6.073 3.2671 3.6534 1.3834 4.6701 2.0423 9.46 9.1282 0.3313 1.0036 0.0526 -1.2075 -1.2075 0.0526 -0.5352 0.0526 1.0036 -1.5352 1.8126 -0.2564 -2.0352 -2.0352 2.7262 1.7081 -3.0352 -3.0352 3.5352 2.5171 -3.5352 3.4307 -0.2564 1.5052 -1.7252 -1.7252 2.791 1.1417 -3.3452 -3.3452 4.1016 2.4523 -4.1552 3.9323 -0.3623 0.659 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 7 8 10 10 11 11 13 14 15 16 17 18 19 20 12 23 3 9 7 5 12 23 8 9 13 14 15 16 17 18 19 20 21 21 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 383 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 00000371C07BA000000000000000000000000000000162C0000030600000000000000001F400001E00180000000C08C19E043DD092480440AA03357774009204223D82001E9821286CD90826FAC0F1D98CB588768800C8E9C798C8E08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1,3-diphenyl-4-pyrazolyl)-1,3,4-oxadiazol-2-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [5-(1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H13N5O/c18-17-20-19-16(23-17)14-11-22(13-9-5-2-6-10-13)21-15(14)12-7-3-1-4-8-12/h1-11H,(H2,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GVQVMCQVJXPXOI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 303.11201006 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H13N5O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 303.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=NN(C=C2C3=NN=C(O3)N)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=NN(C=C2C3=NN=C(O3)N)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 82.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 303.11201006 23 0 0 0 0 0 0 0 1 -1