4-Methoxy-1,2,5-oxadiazol-3-amine - CAS 78350-48-8

Catalog:	BB036154
Product Name:	4-Methoxy-1,2,5-oxadiazol-3-amine
CAS:	78350-48-8
Synonyms:	4-methoxy-1,2,5-oxadiazol-3-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	4-methoxy-1,2,5-oxadiazol-3-amine
Description:	4-Methoxy-1,2,5-oxadiazol-3-amine (CAS# 78350-48-8) is a useful research chemical.
Molecular Weight:	115.09
Molecular Formula:	C3H5N3O2
Canonical SMILES:	COC1=NON=C1N
InChI:	InChI=1S/C3H5N3O2/c1-7-3-2(4)5-8-6-3/h1H3,(H2,4,5)
InChI Key:	BZXHBVIPEFVWOR-UHFFFAOYSA-N
Boiling Point:	227 °C at 760 mmHg
Density:	1.354 g/cm³
MDL:	MFCD00186404
LogP:	0.24160

Publication Number	Title	Priority Date
WO-2014202578-A1	Substituted phenyl-2,3-benzodiazepines	20130617
AU-2010297635-A1	N-(1,2,5-oxadiazol-3-yl) benzamides and the use thereof as herbicides	20090925
AU-2010297635-B2	N-(1,2,5-oxadiazol-3-yl) benzamides and the use thereof as herbicides	20090925
BR-112012007442-B1	N- (1,2,5-oxadiazol-3-yl) benzamidasbenzamides, its uses, herbicide composition, and method for controlling undesired plants	20090925
CA-2775104-A1	N-(1,2,5-oxadiazol-3-yl)benzamides and the use thereof as herbicides	20090925

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Related Functional Groups

Oxadiazole/Thiadiazole

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Complexity:	78.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.038176411
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.038176411
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3