4-(5-Oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylboronic Acid Pinacol Ester - CAS 1454814-36-8
Catalog: |
BB009950 |
Product Name: |
4-(5-Oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylboronic Acid Pinacol Ester |
CAS: |
1454814-36-8 |
Synonyms: |
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4H-1,2,4-oxadiazol-5-one; 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4H-1,2,4-oxadiazol-5-one |
IUPAC Name: | 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4H-1,2,4-oxadiazol-5-one |
Description: | 4-(5-Oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenylboronic Acid Pinacol Ester (CAS# 1454814-36-8 ) is a useful research chemical. |
Molecular Weight: | 288.11 |
Molecular Formula: | C14H17N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NOC(=O)N3 |
InChI: | InChI=1S/C14H17BN2O4/c1-13(2)14(3,4)21-15(20-13)10-7-5-9(6-8-10)11-16-12(18)19-17-11/h5-8H,1-4H3,(H,16,17,18) |
InChI Key: | JYOYBXGRYCKDON-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
TW-202003476-A | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
TW-202003508-A | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-10562865-B2 | Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
US-2019308944-A1 | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 454 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.1281372 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.1281372 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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