1492665 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 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 7 7 7 8 8 9 10 10 10 11 11 11 12 12 14 15 16 17 17 18 18 19 19 19 20 20 21 24 24 24 25 25 25 26 26 27 27 28 12 19 13 20 23 8 23 35 13 22 22 28 9 13 17 9 18 29 14 16 24 15 16 25 14 15 30 31 32 21 33 21 34 23 36 37 22 26 38 39 40 41 42 43 44 27 45 28 46 47 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 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 37 38 39 40 41 42 43 44 45 46 47 10.7619 4.6783 9.7619 8.2619 4.6783 2.866 6.2619 7.7619 6.7619 12.7619 11.2619 11.2619 5.2619 12.2619 10.7619 12.2619 6.7619 8.2619 9.7619 3.732 7.7619 3.732 9.2619 13.7619 10.7619 2.866 2 2 6.4519 12.5719 10.1419 12.5719 6.4519 8.8819 7.9519 9.8695 9.1793 8.0719 13.7619 14.3819 13.7619 11.2988 10.4519 10.2249 2.866 1.4631 1.4631 0.067 -1.7264 -1.6651 -0.799 -3.3358 -3.5311 -2.5311 -1.6651 -1.6651 1.799 2.6651 0.933 -2.5311 0.933 1.799 2.6651 -3.3971 -2.5311 0.067 -2.0311 -3.3971 -3.0311 -0.799 1.799 3.5311 -1.5311 -2.0311 -3.0311 -1.1281 0.3961 1.799 3.202 -3.934 -2.5311 -0.2621 0.6776 0.279 -3.934 1.179 1.799 2.419 3.8411 4.068 3.2211 -0.9111 -1.7211 -3.3411 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 6 6 7 7 8 8 10 10 11 11 12 12 17 18 20 20 26 27 13 20 13 22 22 28 9 17 9 18 14 16 15 16 14 15 21 21 22 26 27 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 521 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000001600000003C608000000000005801FC00001E00100000000C0CE19B063FF69EC81440A802B77774068288293F62A009D821FF6CD88E2EF2C4BDBF8F3928ECD513D8E9A7BCC8708E00000340000000000000068000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,5-dimethylphenoxy)-N-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,5-dimethylphenoxy)-N-[3-(2-oxazolo[4,5-b]pyridinyl)phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,5-dimethylphenoxy)-<I>N</I>-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(3,5-dimethylphenoxy)-N-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H19N3O3/c1-14-9-15(2)11-18(10-14)27-13-20(26)24-17-6-3-5-16(12-17)22-25-21-19(28-22)7-4-8-23-21/h3-12H,13H2,1-2H3,(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YMWAZGQEVPGPNW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.14264148 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H19N3O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 77.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.14264148 28 0 0 0 0 0 0 0 1 -1