5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt - CAS 888504-28-7
Catalog: |
BB039272 |
Product Name: |
5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt |
CAS: |
888504-28-7 |
Synonyms: |
potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate |
IUPAC Name: | potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate |
Description: | An intermediate in the preparation of HIV-integrase inhibitors. |
Molecular Weight: | 166.18 |
Molecular Formula: | C4H3KN2O3 |
Canonical SMILES: | CC1=NN=C(O1)C(=O)[O-].[K+] |
InChI: | InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1 |
InChI Key: | BRHMYHXNUGVBCU-UHFFFAOYSA-M |
Purity: | 95 % |
Appearance: | Off-white solid |
MDL: | MFCD08060085 |
LogP: | -0.00090 |
GHS Hazard Statement: | H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113272309-A | Tricyclic inhibitors of hepatitis B virus | 20180810 |
US-2020330466-A1 | Process for the preparation of raltegravir | 20171114 |
EP-3472134-B1 | Process for preparing compounds useful as intermediates for the preparation of raltegravir | 20160621 |
CA-2995099-A1 | Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication | 20150812 |
JP-2018522926-A | Pyridin-3-ylacetic acid derivatives as inhibitors of human immunodeficiency virus replication | 20150812 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.97807345 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.97807345 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 79 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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