1288674 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 17 8 8 8 7 7 7 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 2 2 3 3 4 4 5 5 5 6 6 7 8 8 9 10 11 11 12 13 13 14 14 15 15 16 17 18 18 19 19 20 20 21 21 22 22 25 25 25 23 9 10 11 18 15 25 8 9 26 10 12 24 13 14 12 11 27 28 24 16 29 17 30 16 17 31 32 19 20 21 33 22 34 23 35 23 36 37 38 39 1 1 1 1 1 1 1 1 1 1 2 1 3 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 2 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 10.8751 4.6456 6.897 2.866 2.866 4.8147 2.3503 2.866 3.732 5.3147 6.3092 3.8366 2 3.732 2.866 2 3.732 7.8916 8.4793 8.2983 9.4739 9.2928 9.8806 3.0934 2 2.3291 6.1384 6.8665 1.4631 4.269 1.4631 4.269 8.2272 7.9339 9.8383 9.545 1.69 1.4631 2.31 1.9564 0.9269 2.3745 -3.1664 0.8336 2.536 3.6664 -0.1664 1.3336 1.67 1.5655 2.3281 -0.6664 -0.6664 -2.1664 -1.6664 -1.6664 2.27 3.079 1.3564 2.9745 1.2519 2.0609 2.9973 -3.6664 1.1436 0.9695 1.2937 -0.3564 -0.3564 -1.9764 -1.9764 3.6454 0.8548 3.4761 0.6855 -3.1295 -3.9764 -4.2033 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 6 6 8 8 9 13 14 15 15 18 18 19 20 21 22 9 10 10 12 13 14 12 16 17 16 17 19 20 21 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 456 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B300004000000000000000000000000016000000030600000000000000001D000001E0210000000080EA1962232C692C81440B80525725406A288202B7720088801D77E890FE662C5B3BF9F3828E4D411DAE807B0400000006000000000000000C0000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenoxy)methyl]-5-(4-methoxyanilino)oxazole-4-carbonitrile IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenoxy)methyl]-5-(4-methoxyanilino)-4-oxazolecarbonitrile IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chloranylphenoxy)methyl]-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-chlorophenoxy)methyl]-5-(p-anisidino)oxazole-4-carbonitrile InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H14ClN3O3/c1-23-14-8-4-13(5-9-14)21-18-16(10-20)22-17(25-18)11-24-15-6-2-12(19)3-7-15/h2-9,21H,11H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WIZAGNRJHPFDRC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.0723690 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H14ClN3O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)NC2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)NC2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 80.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.0723690 25 0 0 0 0 0 0 0 1 -1