3-Methyl-5-isoxazolecarbonitrile - CAS 65735-07-1

Catalog:	BB032803
Product Name:	3-Methyl-5-isoxazolecarbonitrile
CAS:	65735-07-1
Synonyms:	3-methyl-1,2-oxazole-5-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methyl-1,2-oxazole-5-carbonitrile
Description:	3-Methyl-5-isoxazolecarbonitrile (CAS# 65735-07-1) is a useful research chemical.
Molecular Weight:	108.10
Molecular Formula:	C5H4N2O
Canonical SMILES:	CC1=NOC(=C1)C#N
InChI:	InChI=1S/C5H4N2O/c1-4-2-5(3-6)8-7-4/h2H,1H3
InChI Key:	CWGHXEQLWFSUBS-UHFFFAOYSA-N
MDL:	MFCD14702909
LogP:	0.85468

Publication Number	Title	Priority Date
WO-2011050160-A1	Pharmaceuticals, compositions and methods of making and using the same	20091022
US-2004023806-A1	N-phenylcarbamates having a microbicide insecticide and acaricide effect	19991206
US-4342771-A	Hypoglycemic 5-substituted oxazolidine-2,4-diones	19810102
US-4431810-A	Intermediates for the preparation of 5-substituted oxazolidine-2,4-diones	19810102
US-4689336-A	Hypoglycemic 5-substituted oxazolidine 2,4-diones	19810102

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Related Functional Groups

Isoxazoles

[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid
[618383-47-4]
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
[126085-91-4]
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate
[1356543-58-2]
Ethyl 3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylate
[100189-59-1]
Ethyl 5-(2-pyridyl)-4,5-dihydroisoxazole-3-carboxylate
[33277-15-5]
Ethyl 5-(4-bromophenyl)isoxazole-3-carboxylate

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Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.032362755
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.032362755
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8