Methyl 4-(5-Oxazolyl)benzoate - CAS 179057-14-8
Catalog: |
BB013535 |
Product Name: |
Methyl 4-(5-Oxazolyl)benzoate |
CAS: |
179057-14-8 |
Synonyms: |
4-(5-oxazolyl)benzoic acid methyl ester; methyl 4-(1,3-oxazol-5-yl)benzoate |
IUPAC Name: | methyl 4-(1,3-oxazol-5-yl)benzoate |
Description: | Methyl 4-(5-Oxazolyl)benzoate (CAS# 179057-14-8) is a useful research chemical. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CN=CO2 |
InChI: | InChI=1S/C11H9NO3/c1-14-11(13)9-4-2-8(3-5-9)10-6-12-7-15-10/h2-7H,1H3 |
InChI Key: | LFNHUUMUCVZCGY-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD03012557 |
LogP: | 2.12820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2011297669-A1 | Heterocyclic compounds as DGAT1 inhibitors | 20100903 |
CA-2810130-A1 | Heterocyclic compounds as dgat1 inhibitors | 20100903 |
EP-2611783-A2 | Heterocyclic compounds as dgat1 inhibitors | 20100903 |
JP-2013538808-A | Heterocyclic compounds as DGAT1 inhibitors | 20100903 |
KR-20130114122-A | Heterocyclic Compounds as DGAT1 Inhibitors | 20100903 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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