3-Isopropyl-1,2,4-oxadiazole-5-carboxylic Acid - CAS 944906-38-1
Catalog: |
BB041378 |
Product Name: |
3-Isopropyl-1,2,4-oxadiazole-5-carboxylic Acid |
CAS: |
944906-38-1 |
Synonyms: |
3-propan-2-yl-1,2,4-oxadiazole-5-carboxylic acid; 3-propan-2-yl-1,2,4-oxadiazole-5-carboxylic acid |
IUPAC Name: | 3-propan-2-yl-1,2,4-oxadiazole-5-carboxylic acid |
Description: | 3-Isopropyl-1,2,4-oxadiazole-5-carboxylic Acid (CAS# 944906-38-1 ) is a useful research chemical. |
Molecular Weight: | 156.14 |
Molecular Formula: | C6H8N2O3 |
Canonical SMILES: | CC(C)C1=NOC(=N1)C(=O)O |
InChI: | InChI=1S/C6H8N2O3/c1-3(2)4-7-5(6(9)10)11-8-4/h3H,1-2H3,(H,9,10) |
InChI Key: | LDDBLQIMSDKHAQ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Store in freezer, under -20 °C |
LogP: | 0.89120 |
Publication Number | Title | Priority Date |
US-2020361920-A1 | Isoxazole derivatives as fxr agonists and methods of use thereof | 20190513 |
US-2018194762-A1 | PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE | 20170106 |
WO-2016127859-A1 | Compounds as hepatitis c inhibitors and uses thereof in medicine | 20150213 |
AU-2012245106-A1 | Androgen receptor modulating carboxamides | 20110421 |
CA-2831338-A1 | Androgen receptor modulating carboxamides | 20110421 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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