7100780 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 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 2 3 3 3 4 4 5 6 6 7 7 7 8 8 8 12 12 13 13 14 14 15 15 16 16 17 17 18 19 20 9 11 10 10 11 21 5 9 11 19 20 10 12 13 9 14 15 16 22 17 23 19 24 20 25 18 26 18 27 28 29 30 1 1 2 1 1 1 1 2 2 2 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 2 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 4.0421 5.1646 3.7634 5.6602 5.3511 4.8511 3.5823 4.8511 4.8511 4.1701 4.3511 2.5878 3.989 3.9851 5.7172 2 3.4013 2.4067 3.9851 5.7172 3.1468 2.3356 4.6056 3.4482 6.2541 1.3834 3.6534 2.0423 3.4482 6.2541 -0.8087 1.9694 0.9514 -0.8087 0.1424 -4.3965 2.6739 -2.3965 -1.3965 1.8649 0.1424 2.5694 3.5875 -2.8965 -2.8965 3.3784 4.3965 4.292 -3.8965 -3.8965 0.8866 2.003 3.6523 -2.5865 -2.5865 3.3136 4.9629 4.7936 -4.2065 -4.2065 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 8 12 13 14 15 16 17 9 11 5 9 11 19 20 12 13 14 15 16 17 19 20 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 327 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 00000371C073B0000000000000000000000000000001600000003C400000000000000001F000001E00180000000C00C19A043D9092C81440AA02317774009280223D02201FD821386CD98826F2C0BD998C310874CD23C8E9873C88008E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H10N4O2/c19-12(10-4-2-1-3-5-10)16-14-18-17-13(20-14)11-6-8-15-9-7-11/h1-9H,(H,16,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PWTMPPJXTISSCI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.08037557 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H10N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=NC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=NC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 80.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.08037557 20 0 0 0 0 0 0 0 1 -1