Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate - CAS 1170042-55-3
Catalog: |
BB052849 |
Product Name: |
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate |
CAS: |
1170042-55-3 |
Synonyms: |
ethyl 3-[1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate |
IUPAC Name: | ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate |
Molecular Weight: | 264.28 |
Molecular Formula: | C12H16N4O3 |
Canonical SMILES: | CCOC(=O)C1=NC(=NO1)C(C)CN2C=C(C=N2)C |
InChI: | InChI=1S/C12H16N4O3/c1-4-18-12(17)11-14-10(15-19-11)9(3)7-16-6-8(2)5-13-16/h5-6,9H,4,7H2,1-3H3 |
InChI Key: | JFJAGXQLLMXGRS-UHFFFAOYSA-N |
Boiling Point: | 409.2±47.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.12224039 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.12224039 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 83 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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