5-[(1-Indolyl)methyl]-3-methylisoxazole - CAS 528593-71-7
Catalog: |
BB027968 |
Product Name: |
5-[(1-Indolyl)methyl]-3-methylisoxazole |
CAS: |
528593-71-7 |
Synonyms: |
5-(1-indolylmethyl)-3-methylisoxazole; 5-(indol-1-ylmethyl)-3-methyl-1,2-oxazole |
IUPAC Name: | 5-(indol-1-ylmethyl)-3-methyl-1,2-oxazole |
Description: | 5-[(1-Indolyl)methyl]-3-methylisoxazole (CAS# 528593-71-7 ) is a useful research chemical. |
Molecular Weight: | 212.25 |
Molecular Formula: | C13H12N2O |
Canonical SMILES: | CC1=NOC(=C1)CN2C=CC3=CC=CC=C32 |
InChI: | InChI=1S/C13H12N2O/c1-10-8-12(16-14-10)9-15-7-6-11-4-2-3-5-13(11)15/h2-8H,9H2,1H3 |
InChI Key: | FPZFIAHARAHNDG-UHFFFAOYSA-N |
LogP: | 2.98600 |
Publication Number | Title | Priority Date |
EP-2310363-A2 | Anticancer oral formulation | 20080711 |
EP-2310363-B1 | Anticancer oral formulation | 20080711 |
ES-2426599-T3 | Oral anticancer formulation | 20080711 |
JP-2011527704-A | Oral anticancer drug | 20080711 |
JP-5596680-B2 | Oral anticancer drug | 20080711 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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