1.0 2010-04-08 22:13:25 UTC 2019-11-26 03:15:29 UTC FDB017961 Methylhalfordinol Alkaloid from ripe fruits of Aegle marmelos (bael fruit) and the aerial parts of Triphasia trifolia (limeberry). Methylhalfordinol is found in fruits. 2-(3-Pyridyl)-5-(4-methoxyphenyl)oxazole 3-[5-(4-Methoxyphenyl)-2-oxazolyl]pyridine, 9CI Methylhalfordinol C15H12N2O2 252.268 252.089877638 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridine 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridine 33864-03-8 COC1=CC=C(C=C1)C1=CN=C(O1)C1=CN=CC=C1 InChI=1S/C15H12N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-15(19-14)12-3-2-8-16-9-12/h2-10H,1H3 LHPXYPROPRFEQE-UHFFFAOYSA-N belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group. Phenyl-1,3-oxazoles Organic compounds Organoheterocyclic compounds Azoles Oxazoles Aromatic heteromonocyclic compounds 2,5-disubstituted oxazoles Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenoxy compounds Pyridines and derivatives 2,5-disubstituted 1,3-oxazole Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Azacycle Benzenoid Ether Heteroaromatic compound Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenol ether Phenoxy compound Phenyl-1,3-oxazole Pyridine logp 2.72 ALOGPS logs -3.33 ALOGPS solubility 1.18e-01 g/l ALOGPS melting_point Mp 100-101° (98-99°) logp 2.13 ChemAxon pka_strongest_basic 3.72 ChemAxon iupac 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridine ChemAxon average_mass 252.268 ChemAxon mono_mass 252.089877638 ChemAxon smiles COC1=CC=C(C=C1)C1=CN=C(O1)C1=CN=CC=C1 ChemAxon formula C15H12N2O2 ChemAxon inchi InChI=1S/C15H12N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-15(19-14)12-3-2-8-16-9-12/h2-10H,1H3 ChemAxon inchikey LHPXYPROPRFEQE-UHFFFAOYSA-N ChemAxon polar_surface_area 48.15 ChemAxon refractivity 81.19 ChemAxon polarizability 27.3 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21150 Specdb::CMs 134251 Specdb::CMs 141985 Specdb::MsMs 91506 Specdb::MsMs 91507 Specdb::MsMs 91508 Specdb::MsMs 154905 Specdb::MsMs 154906 Specdb::MsMs 154907 Specdb::MsMs 374375 Specdb::MsMs 450944 Specdb::MsMs 2728042 Specdb::MsMs 2728043 Specdb::MsMs 2728044 Specdb::MsMs 2980790 Specdb::MsMs 2980791 Specdb::MsMs 2980792 HMDB38571 #<Reference:0x000055ce30272528> Fruits Unknown generic