5329404 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 7 7 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 2 2 2 3 3 4 4 4 5 7 7 8 9 9 10 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 5 6 6 7 19 6 8 5 9 10 8 11 12 20 13 21 14 22 16 23 17 24 15 25 15 26 27 18 28 18 29 30 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 1 2 1 1 1 2 1 2 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 3.675 3.9538 2.366 2.866 2.866 3.366 3.5471 2.057 2 3.732 2.5526 4.1349 2 3.732 2.866 2.1458 3.7281 2.7336 4.5704 1.4674 1.4631 4.269 2.1881 4.7515 1.4631 4.269 2.866 1.5292 4.0926 2.4814 -0.4565 1.3036 0.4946 -2.0442 -1.0442 0.4946 2.2172 -0.4565 -2.5442 -2.5442 2.3217 3.0262 -3.5442 -3.5442 -4.0442 3.2352 3.9397 4.0442 1.2388 -0.6481 -2.2342 -2.2342 1.8201 2.9614 -3.8542 -3.8542 -4.6642 3.3 4.4413 4.6106 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 5 7 7 9 10 11 12 13 14 16 17 5 6 6 8 9 10 8 11 12 13 14 16 17 15 15 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 247 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371C073200000000000000000000000000000016000000030600000000000000001D000001E00100000000C0CC19A043DD492C81440A802B47774048288293F422009D801AB6CC98E2632C0BDB98D31086CD60358E9A798C8A08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,5-diphenyloxazol-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,5-diphenyl-2-oxazolamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,5-diphenyl-1,3-oxazol-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,5-diphenyl-1,3-oxazol-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,5-diphenyl-1,3-oxazol-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phenyl-(5-phenyloxazol-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H12N2O/c1-3-7-12(8-4-1)14-11-16-15(18-14)17-13-9-5-2-6-10-13/h1-11H,(H,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HFICAVMUTYFODG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.094963011 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H12N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.094963011 18 0 0 0 0 0 0 0 1 -1