当前位置: 首页 » 资料 » 化学物质数据库 » Maybridge3_005219,Oprea1_169962,ZINC00078230,IDI1_016606,RF 05155,1,2,

Maybridge3_005219,Oprea1_169962,ZINC00078230,IDI1_016606,RF 05155,1,2,

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:22
摘 要:Maybridge3_005219,Oprea1_169962,ZINC00078230,IDI1_016606,RF 05155,1,2,4-Oxadiazol-5(4H)-one, 4-(2-methylphenyl)-3-(3-pyridyl)-,4-(2-Methylphenyl)-3-(3-pyridinyl)-1,2,4-oxadiazol-5(4H)-one, 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one,Canon
[Synonyms]
Maybridge3_005219
Oprea1_169962
ZINC00078230
IDI1_016606
RF 05155
1,2,4-Oxadiazol-5(4H)-one, 4-(2-methylphenyl)-3-(3-pyridyl)-
4-(2-Methylphenyl)-3-(3-pyridinyl)-1,2,4-oxadiazol-5(4H)-one

[Structure]
Maybridge3_005219,Oprea1_169962,ZINC00078230,IDI1_016606,RF 05155,1,2,

[ Properties Computed from Structure]
Molecular Weight253.25604 [g/mol]
Molecular FormulaC14H11N3O2
XLogP2.6
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count2
Exact Mass253.085127
MonoIsotopic Mass253.085127
Topological Polar Surface Area54.8
Heavy Atom Count19
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
Canonical SMILES: CC1=CC=CC=C1N2C(=NOC2=O)C3=CN=CC=C3
InChI: InChI=1/C14H11N3O2/c1-10-5-2-3-7-12(10)17-13(16-19-14(17)18)11-6-4-8-15-
9-11/h2-9H,1H3

 
本文导航:
  • (1) Maybridge3_005219,Oprea1_169962,ZINC00078230,IDI1_016606,RF 05155,1,2,
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注