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N-Methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

N-Methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine - CAS 1082766-58-2

Name: N-Methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002223
Product Name:	N-Methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CAS:	1082766-58-2
Synonyms:	N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
Description:	N-Methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (CAS# 1082766-58-2) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C5H9N3O
Canonical SMILES:	CC1=NC(=NO1)CNC
InChI:	InChI=1S/C5H9N3O/c1-4-7-5(3-6-2)8-9-4/h6H,3H2,1-2H3
InChI Key:	FJWWBBDDWORPFD-UHFFFAOYSA-N
Purity:	95 %
LogP:	0.48830

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]C14H15F3N4O3
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]C11H9FN2O3
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]C9H8N2O3S
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]C12H14N6O2S
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[37760-54-6]C11H10N2O3
Ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate

Publication Number	Title	Priority Date
US-2014057916-A1	Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity	20120823
US-9102624-B2	Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity	20120823
US-RE46630-E	Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity	20120823
WO-2014029831-A1	Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity	20120823
US-2009111825-A1	Thiophene 1,2,4-triazole derivatives as modulators of mglur5	20071026

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.074561919
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.074561919
Rotatable Bond Count:	2
Topological Polar Surface Area:	51
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1