4-phenyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C10H6F3NO2/c11-10(12,13)9-14-7(8(15)16-9)6-4-2-1-3-5-6/h1-5,9H, and canonical SMILES descriptor[cheminf_000007]: FC(C1N=C(C(=O)O1)c1ccccc1)(F)F, and by the IUPAC name[cheminf_000107]: 4-phenyl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-15 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) BFO:0000015 | process CHMO:0001075 | elemental analysis (EA) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: ComP-8374 Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations

这是一个与分子[CHEBI_25367]相关联的物理化学实体[CHEBI_24431]。该分子[CHEBI_25367]可通过以下结构描述符[cheminf_000085]进行描述：InChI描述符[cheminf_000113]：InChI=1S/C10H6F3NO2/c11-10(12,13)9-14-7(8(15)16-9)6-4-2-1-3-5-6/h1-5,9H；规范SMILES描述符[cheminf_000007]：FC(C1N=C(C(=O)O1)c1ccccc1)(F)F；以及IUPAC名称[cheminf_000107]：4-苯基-2-（三氟甲基）-2H-1,3-恶唑-5-酮。该物理化学实体[CHEBI_24431]含有一个组分溶剂[CHEBI_46787]，其可通过规范SMILES描述符[cheminf_000007]进行描述：该物理化学实体[CHEBI_24431]在研究数据仓库chemotion（www.chemotion-repository.net，https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本ID为：CRS-15。该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]进行描述：熔点描述符[CHEMINF_000256]、沸点描述符[CHEMINF_000257]、折射率描述符[CHEMINF_000253]。该物理化学实体[CHEBI_24431]还可通过以下测定方法[OBI:0000070][CHMO:0001133]进一步描述：CHMO:0000593 | 氢-1核磁共振波谱法（1H NMR）；CHMO:0000595 | 碳-13核磁共振波谱法（13C NMR）；BFO:0000015 | 过程；CHMO:0001075 | 元素分析（EA）；CHMO:0000630 | 红外吸收光谱法（IR）；CHMO:0000470 | 质谱法（MS）。该物理化学实体[CHEBI_24431]已存入卡尔斯鲁厄理工学院（KIT）的分子档案库，样本ID为：ComP-8374。所用本体论：CHEBI - 生物感兴趣的化学实体；CHEMINF - 化学信息本体论（关于化学实体的信息实体）；CHMO - 化学方法本体论；OBI - 生物医学研究本体论。