3-(3-Phenyl-1,2,4-oxadiazol-5-yl)propanoic acid - CAS 24088-59-3
Catalog: |
BB018327 |
Product Name: |
3-(3-Phenyl-1,2,4-oxadiazol-5-yl)propanoic acid |
CAS: |
24088-59-3 |
Synonyms: |
3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid |
IUPAC Name: | 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid |
Description: | 3-(3-Phenyl-1,2,4-oxadiazol-5-yl)propanoic acid (CAS# 24088-59-3) is a useful reactant for N-arylamide oxadiazole preparation as selective oral CB2 agonists. |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)O |
InChI: | InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-11(13-16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15) |
InChI Key: | UBSBRLFVQKHLPG-UHFFFAOYSA-N |
Boiling Point: | 433.4 °C at 760 mmHg |
Density: | 1.299 g/cm3 |
MDL: | MFCD05130956 |
LogP: | 1.75380 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021113919-A1 | Anode for lithium-ion battery and method of fabricating same | 20191213 |
WO-2021113920-A1 | Multifunctional polymer binder for anode and method of producing same | 20191213 |
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US-2020040039-A1 | Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound | 20170321 |
US-2019112275-A1 | Heterocyclic inhibitors of mct4 | 20161212 |
PMID | Publication Date | Title | Journal |
19652406 | 20090801 | Improved microwave-mediated synthesis of 3-(3-aryl-1,2,4-oxadiazol-5-yl)propionic acids and their larvicidal and fungal growth inhibitory properties | Chemical & pharmaceutical bulletin |
16325458 | 20051230 | Genotoxic activity of 3-[3-phenyl-1,2,4-oxadiazol-5-yl] propionic acid and its peptidyl derivatives determined by Ames and SOS response tests | Mutation research |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.06914219 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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