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

N-Methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine - CAS 933683-06-8

Catalog:	BB040862
Product Name:	N-Methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CAS:	933683-06-8
Synonyms:	N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
Description:	N-Methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine (CAS# 933683-06-8) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C5H9N3O
Canonical SMILES:	CC1=NOC(=N1)CNC
InChI:	InChI=1S/C5H9N3O/c1-4-7-5(3-6-2)9-8-4/h6H,3H2,1-2H3
InChI Key:	DXORLLLAUZFWFF-UHFFFAOYSA-N
Boiling Point:	207.7 °C at 760 mmHg
Density:	1.09 g/cm³
MDL:	MFCD11124699
LogP:	0.48830

Publication Number	Title	Priority Date
US-10118906-B2	Use of substituted oxadiazoles for combating phytopathogenic fungi	20140606
US-10442777-B2	Use of substituted oxadiazoles for combating phytopathogenic fungi	20140606
US-2017144980-A1	Use of substituted oxadiazoles for combating phytopathogenic fungi	20140606
US-2019016694-A1	Use of substituted oxadiazoles for combating phytopathogenic fungi	20140606
US-2020283398-A1	Use of substituted oxadiazoles for combating phytopathogenic fungi	20140606

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Related Functional Groups

Oxadiazole/Thiadiazole

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Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[1171337-26-0]
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
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Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
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Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate

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