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Ethyl 5-Methyl-1,2,4-oxadiazole-3-carboxylate

Ethyl 5-Methyl-1,2,4-oxadiazole-3-carboxylate - CAS 40699-38-5

Name: Ethyl 5-Methyl-1,2,4-oxadiazole-3-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024629
Product Name:	Ethyl 5-Methyl-1,2,4-oxadiazole-3-carboxylate
CAS:	40699-38-5
Synonyms:	5-methyl-1,2,4-oxadiazole-3-carboxylic acid ethyl ester; ethyl 5-methyl-1,2,4-oxadiazole-3-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	ethyl 5-methyl-1,2,4-oxadiazole-3-carboxylate
Description:	Ethyl 5-Methyl-1,2,4-oxadiazole-3-carboxylate (CAS# 40699-38-5) is a useful research chemical.
Molecular Weight:	156.14
Molecular Formula:	C6H8N2O3
Canonical SMILES:	CCOC(=O)C1=NOC(=N1)C
InChI:	InChI=1S/C6H8N2O3/c1-3-10-6(9)5-7-4(2)11-8-5/h3H2,1-2H3
InChI Key:	HNDWRTBIZFQJTB-UHFFFAOYSA-N
Boiling Point:	238.002 °C at 760 mmHg
Density:	1.207 g/cm³
MDL:	MFCD09864941
LogP:	0.55470

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Related Functional Groups

Carbonyl Compounds

[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.05349212
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.05349212
Rotatable Bond Count:	3
Topological Polar Surface Area:	65.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1