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4-(3-Bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5(4H)-one

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

Name: 4-(3-Bromo-4-fluorophenyl)-3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5(4H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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