Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate - CAS 1170088-37-5
Catalog: |
BB052923 |
Product Name: |
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate |
CAS: |
1170088-37-5 |
Synonyms: |
ethyl 3-[2-(1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxylate |
IUPAC Name: | ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate |
Molecular Weight: | 250.25 |
Molecular Formula: | C11H14N4O3 |
Canonical SMILES: | CCOC(=O)C1=NC(=NO1)CC(C)N2C=CC=N2 |
InChI: | InChI=1S/C11H14N4O3/c1-3-17-11(16)10-13-9(14-18-10)7-8(2)15-6-4-5-12-15/h4-6,8H,3,7H2,1-2H3 |
InChI Key: | UUYCZEOKKKUUOK-UHFFFAOYSA-N |
Boiling Point: | 389.4±44.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.10659032 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.10659032 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 83 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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