5-tert-Butyl-2-oxazolecarboxylic Acid Ethyl Ester - CAS 33123-71-6
Catalog: |
BB055343 |
Product Name: |
5-tert-Butyl-2-oxazolecarboxylic Acid Ethyl Ester |
CAS: |
33123-71-6 |
Synonyms: |
Ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate; 5-tert-Butyl-2-oxazolecarboxylic Acid Ethyl Ester; Ethyl 5-(tert-butyl)oxazole-2-carboxylate; 5-tert-butyl-oxazole-2-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 5-tert-butyl-1,3-oxazole-2-carboxylate |
Molecular Weight: | 197.23 |
Molecular Formula: | C10H15NO3 |
Canonical SMILES: | CCOC(=O)C1=NC=C(O1)C(C)(C)C |
InChI: | InChI=1S/C10H15NO3/c1-5-13-9(12)8-11-6-7(14-8)10(2,3)4/h6H,5H2,1-4H3 |
InChI Key: | XJAFBPCIGZMUPR-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2509980-A1 | Heterocyclic compounds containing an indole core | 20091207 |
JP-2013512952-A | Heterocyclic compounds containing indole cores | 20091207 |
US-2013109679-A1 | Heterocyclic compounds containing an indole core | 20091207 |
US-9150577-B2 | Heterocyclic compounds containing an indole core | 20091207 |
WO-2011071716-A1 | Heterocyclic compounds containing an indole core | 20091207 |
AU-2003215231-A1 | Thiazolyl urea compounds for the treatment of cancer | 20020215 |
CA-2476411-A1 | Thiazolyl urea compounds for the treatment of cancer | 20020215 |
EP-1483263-A1 | Thiazolyl urea compounds for the treatment of cancer | 20020215 |
WO-03070727-A1 | Thiazolyl urea compounds for the treatment of cancer | 20020215 |
US-2002193405-A1 | Thiazolyl urea compounds and methods of uses | 20000815 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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