1-(3-Phenylisoxazol-5-yl)ethanone 1-(3-苯基-1,2-噁唑-5-基)乙基-1-酮

CAS 2048-69-3 MFCD00100033

化学结构图

2048-69-3
SMILES: CC(=O)c1cc(-c2ccccc2)no1

化学属性

Mol. FormulaC11H9NO2
Mol. Weight187.19
Melting Point107-108.5 °C

别名和识别编码

Chemical Name1-(3-Phenylisoxazol-5-yl)ethanone
CAS Number2048-69-3
Alfabeta NamePHENYLISOXAZOLYLETHANONE 1351()------
MDL NumberMFCD00100033
Chemical Name Translation1-(3-苯基-1,2-噁唑-5-基)乙基-1-酮
LabNetwork Molecule IDLN00145351
PubChem Substance ID2735264
InChIInChI=1S/C11H9NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-7H,1H3
Synonym 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {} {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {} {} {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {} {} {} {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-
Canonical SMILESCC(=O)C1=CC(=NO1)C2=CC=CC=C2
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分类

  • {KO} Ketones

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
2
H-bond Donors
0
LogP
1

系列性分类

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