Chem
J-GLOBAL ID：200907017102951786
Nikkaji number：J2.247.195C
5-[1-(Benzoxazole-5-yl)-1-(trifluoromethyl)-2,2,2-trifluoroethyl]-2-(adamantane-1-yl)benzoxazole
5-[1-(ベンゾオキサゾール-5-イル)-1-(トリフルオロメチル)-2,2,2-トリフルオロエチル]-2-(アダマンタン-1-イル)ベンゾオキサゾール
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C27H22F6N2O2
Molecular formula furigana： C27-H22-F6-N2-O2
Molecular weight： 520.475
InChI：
InChI=1S/C27H22F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-3-21-19(8-17)34-13-36-21)18-2-4-22-20(9-18)35-23(37-22)24-10-14-5-15(11-24)7-16(6-14)12-24/h1-4,8-9,13-16H,5-7,10-12H2/t14-,15?,16?,24-
InChI key：
IDGZVZHAFDADSW-IJZKEOPUSA-N
SMILES：
FC(F)(F)C(c1ccc2ocnc2c1)(c1ccc2oc(nc2c1)[C@@]12CC3C[C@@H](CC(C3)C1)C2)C(F)(F)F
Systematic name (3)：
- 5-[1-(ベンゾオキサゾール-5-イル)-1-(トリフルオロメチル)-2,2,2-トリフルオロエチル]-2-(アダマンタン-1-イル)ベンゾオキサゾール
- 5-[2-(1,3-ベンゾオキサゾール-5-イル)-1,1,1,3,3,3-ヘキサフルオロプロパン-2-イル]-2-[(3r)-アダマンタン-1-イル]-1,3-ベンゾオキサゾール
- 5-[2-(1,3-benzoxazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[(3r)-adamantan-1-yl]-1,3-benzoxazole
- 5-[1-(Benzoxazole-5-yl)-1-(trifluoromethyl)-2,2,2-trifluoroethyl]-2-(adamantane-1-yl)benzoxazole
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