25093465 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 37 38 39 40 41 42 43 44 45 46 47 48 49 50 8 8 7 7 7 6 6 6 6 6 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 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 14 15 16 17 18 18 18 19 19 19 22 22 23 23 24 24 25 26 26 27 27 28 29 29 29 21 25 20 19 20 42 5 21 25 7 8 9 12 13 11 18 10 30 15 21 15 31 16 32 17 33 16 17 20 34 35 36 37 38 39 22 40 41 23 24 26 43 27 44 29 28 45 28 46 47 48 49 50 1 1 2 1 1 1 1 2 2 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 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 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 3.6636 5.4432 7.1753 4.4727 3.4945 6.3092 6.3092 7.1753 5.4432 5.4432 7.1753 5.4432 7.1753 6.3092 6.3092 5.4432 7.1753 8.0413 7.1753 6.3092 4.5772 8.0413 8.0413 8.9073 2.9945 8.9073 9.7734 9.7734 2 4.9063 7.7122 4.9063 7.7122 6.3092 4.9063 7.7122 8.3513 8.5782 7.7313 6.9632 6.5647 7.7122 7.5044 8.9073 8.9073 10.3103 10.3103 2.0648 1.3834 1.9352 -3.742 2.3512 2.3512 -5.1433 -5.3512 -2.1488 -1.1488 -2.6488 -2.6488 -3.6488 -3.6488 -0.6488 -0.6488 0.8512 -4.1488 0.3512 0.3512 -2.1488 3.3512 1.8512 -4.1488 3.8512 4.8512 3.3512 -4.4852 5.3512 3.8512 4.8512 -4.3807 -2.3388 -3.9588 -0.9588 -0.9588 -4.7688 0.6612 0.6612 -2.6857 -1.8388 -1.6118 3.9338 3.2436 2.0412 5.1612 2.7312 5.9712 3.5412 5.1612 -3.7641 -4.3159 -4.9973 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 4 4 5 6 6 7 7 8 9 10 11 12 13 14 14 22 22 23 24 26 27 21 25 5 21 25 8 9 12 13 11 10 15 15 16 17 16 17 23 24 26 27 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 528 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000001600000003060C000000000000001D400001E00180000000C00C19A04320082C00440AA02217210009200002C00001A88A1380CD80826B280B5198E310864CE0188A98798C8F08EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(phenylmethyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(phenylmethyl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-benzyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H21N3O2/c1-16-8-9-21(24-27-26-17(2)29-24)14-22(16)19-10-12-20(13-11-19)23(28)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QPHJAKYGFBAGRJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 383.16337692 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H21N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 383.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 68 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 383.16337692 29 0 0 0 0 0 0 0 1 -1