4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)benzoic Acid - CAS 915920-28-4
Catalog: |
BB040251 |
Product Name: |
4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)benzoic Acid |
CAS: |
915920-28-4 |
Synonyms: |
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid; 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid |
IUPAC Name: | 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid |
Description: | 4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)benzoic Acid (CAS# 915920-28-4) is a useful research chemical. |
Molecular Weight: | 232.24 |
Molecular Formula: | C12H12N2O3 |
Canonical SMILES: | CC(C)C1=NC(=NO1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C12H12N2O3/c1-7(2)11-13-10(14-17-11)8-3-5-9(6-4-8)12(15)16/h3-7H,1-2H3,(H,15,16) |
InChI Key: | ZUZOSTFYGLSNRP-UHFFFAOYSA-N |
Boiling Point: | 411 °C at 760 mmHg |
Density: | 1.244 g/cm3 |
MDL: | MFCD08691677 |
LogP: | 2.55820 |
Publication Number | Title | Priority Date |
TW-201922728-A | Novel heterocyclic compounds | 20171010 |
US-2020299277-A1 | Piperazine derivatives as magl inhibitors | 20171010 |
EP-2408745-B1 | Piperidine derivatives as nk3 receptor antagonists | 20090319 |
US-2010256126-A1 | Piperidine derivatives as nk3 receptor antagonists | 20090319 |
US-8324250-B2 | Piperidine derivatives as NK3 receptor antagonists | 20090319 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.08479225 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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