49768418 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 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 2 2 2 3 3 3 4 4 5 5 5 5 6 6 7 7 8 9 9 10 11 11 12 14 14 15 15 16 17 17 18 18 19 19 20 20 21 13 14 7 8 26 10 13 30 13 16 6 7 22 23 8 9 24 25 11 10 27 12 12 28 29 15 16 17 18 31 19 32 20 33 21 34 21 35 36 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 1 1 2 1 2 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 5.6527 10.9766 7.4323 6.4617 10.9766 10.0303 11.5602 10.0303 9.1643 8.2983 9.1643 8.2983 6.5662 4.9836 3.989 5.4836 3.5823 3.4013 2.5878 2.4067 2 11.5139 10.7255 12.021 12.021 11.1692 9.1643 9.1643 7.7614 7.4323 5.2314 3.9467 3.6534 2.3356 2.0423 1.3834 0.7938 -0.9177 0.887 -0.6075 0.6918 0.387 -0.113 -0.613 0.887 0.387 -1.113 -0.613 0.387 0.0506 0.1551 -0.8154 1.0687 -0.6539 1.1732 -0.5493 0.3642 1.001 1.2587 -0.5277 0.3018 -1.507 1.507 -1.733 -0.923 1.507 -1.3818 1.5703 -1.2203 1.7396 -1.0509 0.429 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 6 6 8 9 10 11 14 15 15 17 18 19 20 13 14 13 16 8 9 11 10 12 12 16 17 18 19 20 21 21 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 345 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371C07B2000000000000000000000000000000162C0000030600000000000005801D000001E00100000000C0CC19A043DD492C81440A802B47774048288293F422009D881AB6CC98E2632C0BDB98D31086CD603D8E9A798C8A08E00008040000200000001008000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-indolin-5-yl-5-phenyl-oxazol-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,3-dihydro-1H-indol-5-yl)-5-phenyl-2-oxazolamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(2,3-dihydro-1<I>H</I>-indol-5-yl)-5-phenyl-1,3-oxazol-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,3-dihydro-1H-indol-5-yl)-5-phenyl-1,3-oxazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,3-dihydro-1H-indol-5-yl)-5-phenyl-1,3-oxazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 indolin-5-yl-(5-phenyloxazol-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H15N3O/c1-2-4-12(5-3-1)16-11-19-17(21-16)20-14-6-7-15-13(10-14)8-9-18-15/h1-7,10-11,18H,8-9H2,(H,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WVMBDQHNQKECHI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 277.121512110 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H15N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 277.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CNC2=C1C=C(C=C2)NC3=NC=C(O3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CNC2=C1C=C(C=C2)NC3=NC=C(O3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 50.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 277.121512110 21 0 0 0 0 0 0 0 1 -1