Ethyl 5-(thiophen-2-yl)isoxazole-3-carboxylate - CAS 90924-54-2
Catalog: |
BB039996 |
Product Name: |
Ethyl 5-(thiophen-2-yl)isoxazole-3-carboxylate |
CAS: |
90924-54-2 |
Synonyms: |
ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate |
IUPAC Name: | ethyl 5-thiophen-2-yl-1,2-oxazole-3-carboxylate |
Description: | Ethyl 5-(thiophen-2-yl)isoxazole-3-carboxylate (CAS# 90924-54-2) is a useful reagent for organic synthesis. |
Molecular Weight: | 223.25 |
Molecular Formula: | C10H9NO3S |
Canonical SMILES: | CCOC(=O)C1=NOC(=C1)C2=CC=CS2 |
InChI: | InChI=1S/C10H9NO3S/c1-2-13-10(12)7-6-8(14-11-7)9-4-3-5-15-9/h3-6H,2H2,1H3 |
InChI Key: | YPIUQIUZEYMWAX-UHFFFAOYSA-N |
Boiling Point: | 379.7 ℃ at 760 mmHg |
Density: | 1.278 g/cm3 |
MDL: | MFCD02090509 |
LogP: | 2.57980 |
Publication Number | Title | Priority Date |
WO-2020058913-A1 | Isoxazole carboxamide compounds and uses thereof | 20180921 |
EP-3853212-A1 | Isoxazole carboxamide compounds and uses thereof | 20180921 |
KR-20210066848-A | Isoxazole carboxamide compounds and uses thereof | 20180921 |
US-2021054344-A1 | Cpc exosomes mirna373 combination therapies | 20180126 |
AU-2018237987-A1 | Isoxazole carboxamide compounds and uses thereof | 20170324 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.03031432 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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