2-Methyl-1,3,4-oxadiazole - CAS 3451-51-2
Catalog: |
BB022159 |
Product Name: |
2-Methyl-1,3,4-oxadiazole |
CAS: |
3451-51-2 |
Synonyms: |
2-methyl-1,3,4-oxadiazole; 2-methyl-1,3,4-oxadiazole |
IUPAC Name: | 2-methyl-1,3,4-oxadiazole |
Description: | 2-Methyl-1,3,4-oxadiazole (CAS# 3451-51-2) is a useful research chemical. |
Molecular Weight: | 84.08 |
Molecular Formula: | C3H4N2O |
Canonical SMILES: | CC1=NN=CO1 |
InChI: | InChI=1S/C3H4N2O/c1-3-5-4-2-6-3/h2H,1H3 |
InChI Key: | ZMSIFDIKIXVLDF-UHFFFAOYSA-N |
Boiling Point: | 123.1 ℃ at 760 mmHg |
Density: | 1.121 g/cm3 |
LogP: | 0.37800 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P305+P351+P338, P310, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021301151-A1 | Galvanized metal corrosion inhibitor compositions and methods of use | 20200327 |
WO-2021194688-A1 | Galvanized metal corrosion inhibitor compositions and methods of use | 20200327 |
CN-110305073-A | The synthesis and application of 3- aryl -5- Polyfluoroalkyl -1,3,4- oxadiazoles -2- (3H) -one compound | 20190722 |
US-2021017169-A1 | Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators | 20190614 |
US-2020362467-A1 | 1,2,4-TRIAZOLO[1,5-a] PYRIMIDINE DERIVATIVE AS COPPER CORROSION INHIBITOR | 20190513 |
PMID | Publication Date | Title | Journal |
18787055 | 20081201 | Metabolism of 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (BMS-645737): identification of an unusual N-acetylglucosamine conjugate in the cynomolgus monkey | Drug metabolism and disposition: the biological fate of chemicals |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 84.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 84.032362755 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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