1,3,4-Oxadiazole - CAS 288-99-3

Catalog:	BB058428
Product Name:	1,3,4-Oxadiazole
CAS:	288-99-3
Synonyms:	1,3,4-Oxadiazole; [1,3,4]oxadiazole; 1-Oxa-3,4-diazacyclopentadiene; 1,4-Oxadiazole

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,3,4-oxadiazole
Description:	1,3,4-Oxadiazole has therapeutic potential with antibacterial, anti-тАЛmycobacterial, antitumor, anti-тАЛviral and antioxidant activity.
Molecular Weight:	70.05
Molecular Formula:	C2H2N2O
Canonical SMILES:	C1=NN=CO1
InChI:	InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2H
InChI Key:	FKASFBLJDCHBNZ-UHFFFAOYSA-N
Solubility:	Chloroform (Soluble), Methanol (Slightly)
Appearance:	Colourless Oil
Storage:	4°C, Inert atmosphere
References:	Siwach, A., et al. BMC Chemistry, 14, 70 (2020).

Publication Number	Title	Priority Date
CN-114181095-A	Arylamine compounds and organic electroluminescent elements containing the same	20211222
CN-114086260-A	Method for preparing On-DNA 1,3, 4-oxadiazole compounds by using DNA coding compound library technology	20211207
CN-114044785-A	Boron-containing compound, organic electroluminescent element and organic electroluminescent material	20211201
CN-113979964-A	Preparation and application of phenylalanine derivatives containing 1,3, 4-oxadiazole thioether	20211129
CN-114044754-A	Preparation method of 5-trifluoromethyl-4-pyrazole derivatives and application thereof in inhibiting tumor cells	20211123
CN-113929697-A	1,3, 4-oxadiazole psoralen derivatives and preparation method and application thereof	20211116
CN-113999161-A	Indole compound and application thereof	20211112
CN-113999229-A	Cage-shaped compound and application thereof	20211112
CN-114057752-A	Tetraazafluoranthene compound and application thereof	20211112
CN-113912636-A	Silicon-containing heterocyclic compound and organic electroluminescent element containing the same	20211109

PMID	Publication Date	Title	Journal
30036815	20181001	Synthesis of C-2 and C-3 substituted quinolines and their evaluation as anti-HIV-1 agents	Bioorganic chemistry
28083914	20170801	Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as antimycobacterial agents	Chemical biology & drug design
27907875	20170127	S-substituted 3,5-dinitrophenyl 1,3,4-oxadiazole-2-thiols and tetrazole-5-thiols as highly efficient antitubercular agents	European journal of medicinal chemistry
25993309	20150615	Efficient access to novel androsteno-17-(1',3',4')-oxadiazoles and 17β-(1',3',4')-thiadiazoles via N-substituted hydrazone and N,N'-disubstituted hydrazine intermediates, and their pharmacological evaluation in vitro	European journal of medicinal chemistry
23072812	20121128	Transition metal-free direct C-H bond thiolation of 1,3,4-oxadiazoles and related heteroarenes	Chemical communications (Cambridge, England)
22739705	20121101	Synthesis, characterization, optical properties and theoretical studies of novel substituted imidazo[1,5-a]pyridinyl 1,3,4-oxadiazole derivatives	Journal of fluorescence
23046253	20121101	Trigonal 1,3,4-oxadiazole-based blue emitting liquid crystals and gels	The journal of physical chemistry. B
22967765	20121015	Synthesis and evaluation of novel 1,3,4-oxadiazole derivatives of marine bromopyrrole alkaloids as antimicrobial agent	Bioorganic & medicinal chemistry letters
22998101	20121005	1,3,4-Oxadiazole containing silanes as novel hosts for blue phosphorescent organic light emitting diodes	Organic letters
21899490	20121001	Syntheses and evaluation of anti-inflammatory, analgesic and ulcerogenic activities of 1,3,4-oxadiazole and 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole derivatives	Journal of enzyme inhibition and medicinal chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	26.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	70.016712692
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	70.016712692
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2