1.0 2010-04-08 22:06:14 UTC 2025-11-18 22:56:20 UTC FDB004443 Benzoxazole Benzoxazole, also known as 1-oxa-3-aza-1h-indene, is a member of the class of compounds known as benzoxazoles. Benzoxazoles are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Benzoxazole is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Benzoxazole can be found in tea, which makes benzoxazole a potential biomarker for the consumption of this food product. Being a heterocyclic compound, benzoxazole finds use in research as a starting material for the synthesis of larger, usually bioactive structures. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization . 1-Oxa-3-aza-1H-indene 1-Oxa-3-azaindene 1,3-Benzoxazole C7H5NO 119.1207 119.037113787 1,3-benzoxazole benzoxazole 273-53-0 O1C=NC2=CC=CC=C12 InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H BCMCBBGGLRIHSE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Benzoxazoles Organic compounds Organoheterocyclic compounds Benzoxazoles Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Oxazoles Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Benzoxazole Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazole 1,3-benzoxazoles mancude organic heterobicyclic parent logp 1.43 ALOGPS logs -0.98 ALOGPS solubility 1.25e+01 g/l ALOGPS melting_point 31 oC logp 1.32 ChemAxon pka_strongest_basic 0.18 ChemAxon iupac 1,3-benzoxazole ChemAxon average_mass 119.1207 ChemAxon mono_mass 119.037113787 ChemAxon smiles O1C=NC2=CC=CC=C12 ChemAxon formula C7H5NO ChemAxon inchi InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H ChemAxon inchikey BCMCBBGGLRIHSE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.03 ChemAxon refractivity 32.72 ChemAxon polarizability 11.74 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 114139 Specdb::CMs 128120 Specdb::MsMs 92073 Specdb::MsMs 92074 Specdb::MsMs 92075 Specdb::MsMs 155628 Specdb::MsMs 155629 Specdb::MsMs 155630 Specdb::MsMs 1473238 Specdb::MsMs 3418811 Specdb::MsMs 3418812 Specdb::MsMs 3418813 Specdb::MsMs 3418814 Specdb::MsMs 3418815 Specdb::MsMs 3418816 Specdb::NmrOneD 213267 Specdb::NmrOneD 213268 Specdb::NmrOneD 213269 Specdb::NmrOneD 213270 Specdb::NmrOneD 213271 Specdb::NmrOneD 213272 Specdb::NmrOneD 213273 Specdb::NmrOneD 213274 Specdb::NmrOneD 213275 Specdb::NmrOneD 213276 Specdb::NmrOneD 213277 Specdb::NmrOneD 213278 Specdb::NmrOneD 213279 Specdb::NmrOneD 213280 Specdb::NmrOneD 213281 Specdb::NmrOneD 213282 Specdb::NmrOneD 213283 Specdb::NmrOneD 213284 Specdb::NmrOneD 213285 Specdb::NmrOneD 213286 46700 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442