5-Methyl-1,3,4-oxadiazol-2-amine - CAS 52838-39-8

Catalog:	BB027963
Product Name:	5-Methyl-1,3,4-oxadiazol-2-amine
CAS:	52838-39-8
Synonyms:	5-methyl-1,3,4-oxadiazol-2-amine; 5-methyl-1,3,4-oxadiazol-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methyl-1,3,4-oxadiazol-2-amine
Description:	5-Methyl-1,3,4-oxadiazol-2-amine (CAS# 52838-39-8) is used to study structure-activity relationships of endonuclease 1 inhibitors.
Molecular Weight:	99.09
Molecular Formula:	C3H5N3O
Canonical SMILES:	CC1=NN=C(O1)N
InChI:	InChI=1S/C3H5N3O/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)
InChI Key:	XPXWYVCQCNFIIJ-UHFFFAOYSA-N
Boiling Point:	228.8 °C at 760 mmHg
Density:	1.283 g/cm³
Appearance:	Solid
LogP:	0.54140

Publication Number	Title	Priority Date
JP-2021152037-A	Heterocyclic amide compound	20210611
JP-2021006524-A	Heterocyclic compound	20200626
JP-2020164533-A	Heterocyclic amide compound	20200529
WO-2021209383-A1	Herbicidal compounds	20200417
WO-2021064073-A1	Herbicidal compounds	20191003

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Related Functional Groups

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[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
[1172750-87-6]
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H302 (97.56%): 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:	-0.9