5-Methyl-1,2,4-oxadiazol-3-amine - CAS 40483-47-4

Catalog:	BB024523
Product Name:	5-Methyl-1,2,4-oxadiazol-3-amine
CAS:	40483-47-4
Synonyms:	5-methyl-1,2,4-oxadiazol-3-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methyl-1,2,4-oxadiazol-3-amine
Description:	5-Methyl-1,2,4-oxadiazol-3-amine (CAS# 40483-47-4) is a useful research chemical.
Molecular Weight:	99.09
Molecular Formula:	C3H5N3O
Canonical SMILES:	CC1=NC(=NO1)N
InChI:	InChI=1S/C3H5N3O/c1-2-5-3(4)6-7-2/h1H3,(H2,4,6)
InChI Key:	JEEUSAKCHSWJKO-UHFFFAOYSA-N
Boiling Point:	228.828 °C at 760 mmHg
Purity:	95 %
Density:	1.283 g/cm³
MDL:	MFCD08272077
LogP:	0.54140

Publication Number	Title	Priority Date
WO-2020002587-A1	Compounds	20180628
AU-2019294533-A1	Compounds	20180628
TW-202012379-A	Chemical compound	20180628
EP-3813813-A1	Compounds	20180628
US-2021213004-A1	Compounds	20180628

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Related Functional Groups

Amines and Anilines

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2-Amino-4-(3-bromophenyl)thiazole

Oxadiazole/Thiadiazole

[1171337-26-0]
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[96898-36-1]
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-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:	67.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	99.043261792
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	99.043261792
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2