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

Name: 5-Methyl-1,3,4-oxadiazol-2-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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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

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170802-11-5]C9H9ClN4O3
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]C9H9IN4O3
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1170977-40-8]C14H15F3N4O3
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[163719-81-1]C11H9FN2O3
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]C9H9BrN4O3
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate

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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

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

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