4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic Acid

HCID 11220119

基本情報

標準SMILES
Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)O)cc3)c2)o1
InChIKey
VROADSGRHRDRSN-UHFFFAOYSA-N
分子式
C17H14N2O3
平均分子量
294.3 g/mol

名称と識別子

優先名称
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic Acid
IUPAC
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic acid

名称と別名

180082-70-62'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,1'-biphenyl]-4-carboxylicacid2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,1'-biphenyl]-4-carboxylic acidCHEMBL272750SCHEMBL4856436BDBM25995VROADSGRHRDRSN-UHFFFAOYSA-N4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic AcidEBC-47123GW608005XEN300-26624146Z2216900551
名称をさらに表示
2'-methyl-5'-(5-methyl-1,3,4 oxadiazol-2-yl)-1,1'-biphenyl-4-carboxylic acid2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1 '-biphenyl-4-carboxylic acid2'-Methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl 4-carboxylic acid2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxylic acid2'-Methyl-5'-(5methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxylic acid

データベース識別子

PubChem CID
11220119
ChEMBL
CHEMBL272750

物性

構造計算による物性

XLogP
3.3
極性表面積
76.2 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
3
重原子数
22

関連反応

138 件

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