2-Butyl-1,3-benzoxazole-5-carboxylic acid

CAS N/A MFCD06797377

化学结构图

N/A
SMILES: CCCCC1=NC2C=C(C=CC=2O1)C(O)=O

化学属性

Mol. FormulaC12H13NO3
Mol. Weight219.24
Melting Point136-138°

别名和识别编码

Chemical Name2-butyl-1,3-benzoxazole-5-carboxylic acid
Alfabeta NameBUTYLBENZOXAZOLECARBOXYLICACID 2135-----,
MDL NumberMFCD06797377
Synonym 2-butyl-1,3-benzoxazole-5-carboxylic acid
PubChem Substance ID329790274

分类

  • {KO} CarboxylicAcids
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Oxazoles

安全信息

Warnings IRRITANT
WGK Germany3

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
4
H-bond Donors
1
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Oxazoles 恶唑

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