2-苯基-5-(三氟甲基)唑-4-羧酸 | 236736-23-5

分子结构分类

有机化合物 - 有机杂环化合物 - 唑类

中文名称

2-苯基-5-(三氟甲基)唑-4-羧酸

中文别名

2-苯基-5-三氟甲基-4-异恶唑甲酸

英文名称

2-phenyl-5-trifluoromethyloxazole-4-carboxylic acid

英文别名

2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid；2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid

CAS

236736-23-5

化学式

C₁₁H₆F₃NO₃

mdl

——

分子量

257.169

InChiKey

PYCFLCQAJFEELT-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

170～172℃
沸点：

381.3±52.0 °C(Predicted)
密度：

1.454±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.8
重原子数：

18
可旋转键数：

2
环数：

2.0
sp3杂化的碳原子比例：

0.09
拓扑面积：

63.3
氢给体数：

1
氢受体数：

7

安全信息

海关编码：

2934999090
危险性防范说明：

P261,P280,P305+P351+P338
危险性描述：

H302,H315,H319,H332,H335

SDS

SDS：ef0c93fb47b64f7d716155c2debc9497

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上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanol	1055303-62-2	C₁₁H₈F₃NO₂	243.185
——	2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl chloride	845782-70-9	C₁₁H₅ClF₃NO₂	275.614
——	4-(chloromethyl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole	1107663-02-4	C₁₁H₇ClF₃NO	261.631
——	2-phenyl-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide	1350914-60-1	C₂₀H₁₇F₃N₂O₃	390.362
——	2-phenyl-N-(4-propylphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide	1350914-62-3	C₂₀H₁₇F₃N₂O₂	374.362
——	2-phenyl-N-[4-piperazin-1-ylphenyl]-5-trifluoromethyl-1,3-oxazole-4-carboxamide	1085841-84-4	C₂₁H₁₉F₃N₄O₂	416.403
N-(4-((2-甲氧基乙基)(甲基)氨基)苯基)-2-苯基-5-(三氟甲基)噁唑-4-羧酰胺	2-phenyl-5-trifluoromethyloxazole-4-carboxylic acid {4-[(2-methoxyethyl)(methyl)amino]phenyl}amide	1231243-91-6	C₂₁H₂₀F₃N₃O₃	419.403
——	2-phenyl-N-(3-propan-2-yloxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide	1350914-59-8	C₂₀H₁₇F₃N₂O₃	390.362
——	2-phenyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide	1350914-57-6	C₂₀H₁₇F₃N₂O₂	374.362
——	2-phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-bromo-pyridin-3-yl)-amide	1085841-97-9	C₁₆H₉BrF₃N₃O₂	412.166
——	2-phenyl-N-(3-propylphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide	1350914-61-2	C₂₀H₁₇F₃N₂O₂	374.362
——	4-{2-carboxy-2-[2-(4-fluoro-phenyl)-ethylsulfanyl]-ethyl}-benzoic acid 2-phenyl-5-trifluoromethyl-oxazol-4-ylmethyl ester	1055303-24-6	C₂₉H₂₃F₄NO₅S	573.565
——	N-(6-chloropyridin-3-yl)-2-phenyl-5-(trifluoromethyl)oxazole-4-carboxamide	1227862-50-1	C₁₆H₉ClF₃N₃O₂	367.715
——	2-phenyl-N-[4-piperidin-4-ylphenyl]-5-trifluoromethyl-1,3-oxazole-4-carboxamide	1085841-74-2	C₂₂H₂₀F₃N₃O₂	415.415
——	1-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidine-4-carboxylic acid	1085839-61-7	C₂₃H₂₀F₃N₃O₄	459.425
——	4-{4-[(2-phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]phenyl}piperazine-1-carboxylic acid methyl ester	1085838-01-2	C₂₃H₂₁F₃N₄O₄	474.439
——	1-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidine-4-carboxylic acid methyl ester	1085839-59-3	C₂₄H₂₂F₃N₃O₄	473.452
——	4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester	1085841-82-2	C₂₆H₂₇F₃N₄O₄	516.52
——	4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenoxy}-piperidine-1-carboxylic acid tert-butyl ester	1085842-35-8	C₂₇H₂₈F₃N₃O₅	531.532
——	2-phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-diethylamino-pyridin-3-yl)-amide	——	C₂₀H₁₉F₃N₄O₂	404.392
——	4-[2-[2-(4-fluoro-phenyl)-ethylsulfanyl]-2-(2,2,2-trichloro-ethoxycarbonyl)-ethyl]-benzoic acid 2-phenyl-5-trifluoromethyl-oxazol-4-ylmethyl ester	1055303-82-6	C₃₁H₂₄Cl₃F₄NO₅S	704.954
——	N-[4-(4-cyclopropanecarbonylpiperazin-1-yl)phenyl]-2-phenyl-5-trifluoromethyl-1,3-oxazole-4-carboxamide	1085836-64-1	C₂₅H₂₃F₃N₄O₃	484.478
——	N-(2-morpholin-4-ylphenyl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide	1350914-63-4	C₂₁H₁₈F₃N₃O₃	417.387
——	4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidin-1-yl)-benzoic acid	1229419-16-2	C₂₉H₂₄F₃N₃O₄	535.522
——	(S)-3-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenoxy}-pyrrolidine-1-carboxylic acid tert butyl ester	1085838-95-4	C₂₆H₂₆F₃N₃O₅	517.505
——	4-{4-[(2-phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]phenyl}piperidine-1-carboxylic acid tert-butyl ester	1085843-34-0	C₂₇H₂₈F₃N₃O₄	515.532
——	4-(4-{4-[(2-phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]phenyl}piperazine-1-carbonyl)-trans-cyclohexanecarboxylic acid	1085835-67-1	C₂₉H₂₉F₃N₄O₅	570.568
——	4-(4-{4-[(2-phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]phenyl}piperazine-1-carbonyl)-cis-cyclohexanecarboxylic acid	1085837-48-4	C₂₉H₂₉F₃N₄O₅	570.568
——	4-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)amino]phenyl}-[1,4]diazepane-1-carboxylic acid tert-butyl ester	1207714-06-4	C₂₇H₂₉F₃N₄O₄	530.547
——	4-{5-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-pyrimidin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester	1085841-70-8	C₂₄H₂₅F₃N₆O₄	518.496
——	2-phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid [6-(4-pyrimidin-2-yl-piperazin-1-yl)-pyridin-3-yl]-amide	1229418-83-0	C₂₄H₂₀F₃N₇O₂	495.464
——	1-(1-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidine-4-carbonyl)-piperidine-4-carboxylic acid ethyl ester	1085839-92-4	C₃₁H₃₃F₃N₄O₅	598.622
——	4-{2-cyano-4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester	1085841-86-6	C₂₇H₂₆F₃N₅O₄	541.53
——	2,2-dimethyl-3-{5'-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl}-propionic acid	1085837-44-0	C₂₆H₂₇F₃N₄O₄	516.52
——	(1-{5-[(2-phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]pyridin-2-yl}azetidin-3-yloxy)acetic acid tert-butyl ester	——	C₂₅H₂₅F₃N₄O₅	518.493
——	4-{5-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-pyridin-2-ylamino}-piperidine-1-carboxylic acid tert-butyl ester	1085841-90-2	C₂₆H₂₈F₃N₅O₄	531.535
——	4-{5-[(2-phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]pyridin-2-yl}piperazine-1-carboxylic acid tert-butyl ester	1085836-67-4	C₂₅H₂₆F₃N₅O₄	517.508
——	4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid	1229419-12-8	C₂₈H₂₃F₃N₄O₄	536.51
——	3-chloro-4-{5-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-pyridin-2-yl}-benzoic acid	1085838-54-5	C₂₃H₁₃ClF₃N₃O₄	487.822
——	5-[(2-phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]-3',4',5',6'-tetrahydro-2'H-(2,4'-bipyridinyl)-1'-carboxylic acid tert-butyl ester	1085843-37-3	C₂₆H₂₇F₃N₄O₄	516.52
——	2-phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid [4-(3-trifluoromethyl-phenyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-yl]-amide	1229418-79-4	C₂₈H₂₂F₆N₄O₂	560.499
——	methyl-{5'-[(2-phenyl-trifluoromethyl-oxazole-4-carbonyl)-amino]-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl}-carbamic acid tert-butyl ester	1085841-95-7	C₂₇H₃₀F₃N₅O₄	545.562
——	2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid [1-(2-hydroxy-ethyl)-3-oxo2,3-dihydro-1H-indazol-5-yl]-amide	1133431-28-3	C₂₀H₁₅F₃N₄O₄