15732 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 8 8 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 2 2 3 3 4 4 5 5 5 6 6 6 9 9 10 11 11 12 13 13 14 14 15 15 16 16 17 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 28 7 13 8 14 7 17 8 18 7 9 11 8 10 12 10 29 30 12 31 32 15 17 16 18 19 21 20 22 33 34 23 35 24 36 25 37 26 38 27 39 28 40 27 41 28 42 43 44 1 1 1 1 2 1 2 1 1 2 1 1 2 1 1 1 1 2 1 1 1 2 1 2 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 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 5.4791 3.8611 3.8611 5.4791 4.6701 4.6701 4.6701 4.6701 5.5361 5.5361 3.8041 3.8041 5.1701 4.1701 5.7579 3.5823 4.1701 5.1701 5.3511 3.989 6.7524 2.5878 5.9389 3.4013 7.3402 2 6.9334 2.4067 6.073 6.073 3.2671 3.2671 3.8057 5.5345 4.7345 4.6056 7.0046 2.3356 5.6868 3.6534 7.9568 1.3834 7.2979 2.0423 -2.5878 2.5878 -2.5878 2.5878 -1 1 -2 2 -0.5 0.5 -0.5 0.5 -3.5388 3.5388 -4.3479 4.3479 -3.5388 3.5388 -5.2614 5.2614 -4.2433 4.2433 -6.0704 6.0704 -5.0524 5.0524 -5.9659 5.9659 -0.81 0.81 -0.81 0.81 -4.0404 4.0404 -5.3262 5.3262 -3.6769 3.6769 -6.6368 6.6368 -4.9875 4.9875 -6.4675 6.4675 8 8 8 8 8 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 2 2 3 3 4 4 5 5 6 6 9 11 13 14 15 15 16 16 19 20 21 22 23 24 25 26 7 13 8 14 7 17 8 18 9 11 10 12 10 12 17 18 19 21 20 22 23 24 25 26 27 28 27 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 437 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 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 00000371E07B3000000000000000000000000000000162C000003060C000000000000001F400001E00000000000C04C19A043C8492081440A802B17754048288203F402008D821AB4CD80E26B2C0B5398F3908E4C601D8E98798C8B08E40000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenyl-2-[4-(5-phenyloxazol-2-yl)phenyl]oxazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenyl-2-[4-(5-phenyl-2-oxazolyl)phenyl]oxazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-phenyl-2-[4-(5-phenyloxazol-2-yl)phenyl]oxazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MASVCBBIUQRUKL-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 364.121177757 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H16N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 364.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 52.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 364.121177757 28 0 0 0 0 0 0 0 1 -1