4-(1,2,4-Oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine - CAS 163011-56-1

Catalog:	BB011930
Product Name:	4-(1,2,4-Oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
CAS:	163011-56-1
Synonyms:	4-(1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
Description:	4-(1,2,4-Oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine (CAS# 163011-56-1) is a useful research chemical.
Molecular Weight:	153.10
Molecular Formula:	C4H3N5O2
Canonical SMILES:	C1=NC(=NO1)C2=NON=C2N
InChI:	InChI=1S/C4H3N5O2/c5-3-2(7-11-8-3)4-6-1-10-9-4/h1H,(H2,5,8)
InChI Key:	XHCUQOVMSNRPKS-UHFFFAOYSA-N
Boiling Point:	371.8 °C at 760 mmHg
Purity:	95 %
Density:	1.603 g/cm³
MDL:	MFCD00465022
LogP:	0.28300

Publication Number	Title	Priority Date
RU-2557659-C1	Method of obtaining amidrazones of 4-r-1,2,5-oxadiazole-3-carboxylic acid	20140729

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Related Functional Groups

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.02867436
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.02867436
Rotatable Bond Count:	1
Topological Polar Surface Area:	104 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7