2,5-Dimethyl-1,3,4-oxadiazole - CAS 13148-65-7

Catalog:	BB007420
Product Name:	2,5-Dimethyl-1,3,4-oxadiazole
CAS:	13148-65-7
Synonyms:	2,5-dimethyl-1,3,4-oxadiazole; 2,5-dimethyl-1,3,4-oxadiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,5-dimethyl-1,3,4-oxadiazole
Description:	2,5-Dimethyl-1,3,4-oxadiazole was studied as a catalyst without appreciable loss when recycled from batch to batch. Solution of 2,5-Dimethyl-1,3,4-oxadiazole gave the highest selectivity (removal of undesirable polycyclic aromatics) in purification of petroleum oils.
Molecular Weight:	98.10
Molecular Formula:	C4H6N2O
Canonical SMILES:	CC1=NN=C(O1)C
InChI:	InChI=1S/C4H6N2O/c1-3-5-6-4(2)7-3/h1-2H3
InChI Key:	YVDWFZIVIIKYBQ-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	0.68640

Publication Number	Title	Priority Date
WO-2021202822-A1	Compositions and methods for treating age-related diseases and premature aging disorders	20200402
WO-2021193410-A1	Benzamide compound and herbicide	20200323
JP-2021063210-A	Composition and light emitting device containing it	20191015
EP-3892618-A1	4-pyridinyl formamide compound or derivative thereof, preparation method therefor, herbicidal composition and use thereof	20190114
WO-2020060299-A1	Compound containing oxadiazole, and pharmaceutical composition containing same	20180921

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Related Functional Groups

Oxadiazole/Thiadiazole

[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-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
[956264-16-7]
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956263-73-3]
Ethyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[478030-57-8]
Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	58.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.048012819
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	98.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6