15665937 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 8 8 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 1 1 1 1 2 2 3 3 3 4 4 5 6 6 7 7 7 8 8 9 9 10 11 13 13 13 15 16 16 16 17 17 17 18 18 19 19 20 20 21 22 22 22 5 14 15 22 6 16 17 12 14 12 8 9 10 11 12 10 23 11 24 25 26 14 15 18 19 27 28 29 30 31 32 20 33 21 34 21 35 36 37 38 39 1 1 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 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 37 38 39 2.366 5.3551 2.866 3.675 2.057 2.866 2.866 3.732 2 3.732 2 2.866 3.9538 3.366 4.9483 2 3.732 3.5471 5.5361 4.1349 5.1294 6.3496 4.269 1.4631 4.269 1.4631 1.69 1.4631 2.31 3.422 4.269 4.042 2.9305 6.1527 3.8827 5.4938 6.2848 6.9662 6.4144 1.7536 1.5446 -3.7852 0.8026 0.8026 -2.7852 -0.7852 -2.2852 -2.2852 -1.2852 -1.2852 0.2148 2.5626 1.7536 2.4581 -4.2852 -4.2852 3.4762 3.2671 4.2852 4.1807 1.44 -2.5952 -2.5952 -0.9752 -0.9752 -3.7483 -4.5952 -4.8222 -4.8222 -4.5952 -3.7483 3.541 3.2023 4.8516 4.6823 0.8234 1.3752 2.0566 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 13 13 15 18 19 20 5 14 12 14 12 8 9 10 11 10 11 15 18 19 20 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 345 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B300000000000000000000000000000016000000030600000000000000001D000001E00040000000C0C819B0633D687181400A902277276008288092522A02988212E6CD88C2FB6C4BD9B84316867E513C8E98798C8208E08000000000800001000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethyl-aniline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-<I>N</I>,<I>N</I>-dimethylaniline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethyl-aniline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H17N3O2/c1-20(2)13-10-8-12(9-11-13)16-18-17(22-19-16)14-6-4-5-7-15(14)21-3/h4-11H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OICVEUMKDACCNQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 295.132076794 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H17N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 295.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 51.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 295.132076794 22 0 0 0 0 0 0 0 1 -1