3-(Chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole - CAS 959237-80-0

Catalog:	BB041896
Product Name:	3-(Chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole
CAS:	959237-80-0
Synonyms:	3-(chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole
Description:	3-(Chloromethyl)-5-cyclopropyl-1,2,4-oxadiazole (CAS# 959237-80-0) is a useful research chemical.
Molecular Weight:	158.59
Molecular Formula:	C6H7ClN2O
Canonical SMILES:	C1CC1C2=NC(=NO2)CCl
InChI:	InChI=1S/C6H7ClN2O/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-3H2
InChI Key:	VIIBOHRJBXNITD-UHFFFAOYSA-N
Boiling Point:	259.5 °C at 760 mmHg
Density:	1.386 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD09864335
LogP:	1.68580

Publication Number	Title	Priority Date
US-2020308145-A1	Benzimidazole derivatives and their uses	20171019
EP-3442947-A1	Amine-substituted aryl or heteroaryl compounds as ehmt1 and ehmt2 inhibitors	20160415
JP-2019513778-A	Amine-substituted aryl or heteroaryl compounds as EHMT1 and EHMT2 inhibitors	20160415
KR-20180133906-A	Amine-substituted aryl or heteroaryl compounds as EHMT1 and EHMT2 inhibitors	20160415
US-2017355712-A1	Amine-substituted aryl or heteroaryl compounds	20160415

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Related Functional Groups

Oxadiazole/Thiadiazole

[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
[1170977-40-8]
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[163719-81-1]
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[55983-96-5]
Methyl-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-amine
[938459-04-2]
N-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0246905
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.0246905
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1