2-(Bromomethyl)-5-methyl-1,3,4-oxadiazole - CAS 944059-14-7

Catalog:	BB041299
Product Name:	2-(Bromomethyl)-5-methyl-1,3,4-oxadiazole
CAS:	944059-14-7
Synonyms:	2-(bromomethyl)-5-methyl-1,3,4-oxadiazole; 2-(bromomethyl)-5-methyl-1,3,4-oxadiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(bromomethyl)-5-methyl-1,3,4-oxadiazole
Description:	2-(Bromomethyl)-5-methyl-1,3,4-oxadiazole was used in the preparation of morpholinopyrimidine derivatives for treatment of proliferative disease.
Molecular Weight:	177.00
Molecular Formula:	C4H5BrN2O
Canonical SMILES:	CC1=NN=C(O1)CBr
InChI:	InChI=1S/C4H5BrN2O/c1-3-6-7-4(2-5)8-3/h2H2,1H3
InChI Key:	IVKQXJMTMAVUTG-UHFFFAOYSA-N
LogP:	1.27290

Publication Number	Title	Priority Date
CA-3047404-A1	Compounds, compositions and methods of use	20161223
EP-3557998-A1	Compouns, compositions and methods of use	20161223
JP-2020503314-A	Compounds, compositions, and methods of use	20161223
WO-2018119395-A1	Compouns, compositions and methods of use	20161223
US-2020270211-A1	Compounds, compositions and methods of use	20161223

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Related Functional Groups

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-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
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	80.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.95853
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.95853
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7