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

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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

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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