4-(3-Bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5(4H)-one - CAS 2019140-71-5
Catalog: |
BB015703 |
Product Name: |
4-(3-Bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5(4H)-one |
CAS: |
2019140-71-5 |
Synonyms: |
4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one; 4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one |
IUPAC Name: | 4-(3-bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one |
Description: | 4-(3-Bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5(4H)-one (CAS# 2019140-71-5 ) is a useful research chemical. |
Molecular Weight: | 372.06 |
Molecular Formula: | C10H3BrFN5O5 |
Canonical SMILES: | C1=CC(=C(C=C1N2C(=NOC2=O)C3=NON=C3[N+](=O)[O-])Br)F |
InChI: | InChI=1S/C10H3BrFN5O5/c11-5-3-4(1-2-6(5)12)16-8(14-21-10(16)18)7-9(17(19)20)15-22-13-7/h1-3H |
InChI Key: | RHYOUOZNAPENIN-UHFFFAOYSA-N |
LogP: | 2.20850 |
Publication Number | Title | Priority Date |
CN-111689952-A | 2,3-dioxygenase inhibitor containing thioquaternary ring structure and preparation method and application thereof | 20190314 |
CN-111689924-A | 2,3-dioxygenase inhibitor containing substituted amidino structure and preparation method and application thereof | 20190314 |
CN-111116572-A | Oxadiazole derivatives, their preparation and use | 20181031 |
CN-109438513-B | IDO1 inhibitor containing substituted phosphoramidate, preparation method and application thereof | 20181025 |
EP-3677581-A1 | Deuterated indoleamine 2,3-dioxygenase inhibitor and application thereof | 20170901 |
Complexity: | 516 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 370.93016 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 370.93016 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 127 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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