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

Ethyl 3-Isopropyl-1,2,4-oxadiazole-5-carboxylate - CAS 163719-70-8

Catalog:	BB012027
Product Name:	Ethyl 3-Isopropyl-1,2,4-oxadiazole-5-carboxylate
CAS:	163719-70-8
Synonyms:	3-propan-2-yl-1,2,4-oxadiazole-5-carboxylic acid ethyl ester; ethyl 3-propan-2-yl-1,2,4-oxadiazole-5-carboxylate

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Computed Properties

IUPAC Name:	ethyl 3-propan-2-yl-1,2,4-oxadiazole-5-carboxylate
Description:	Ethyl 3-Isopropyl-1,2,4-oxadiazole-5-carboxylate (CAS# 163719-70-8) is a useful research chemical.
Molecular Weight:	184.19
Molecular Formula:	C8H12N2O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)C(C)C
InChI:	InChI=1S/C8H12N2O3/c1-4-12-8(11)7-9-6(5(2)3)10-13-7/h5H,4H2,1-3H3
InChI Key:	PTWUNLQIQBOQPU-UHFFFAOYSA-N
LogP:	1.36970

Publication Number	Title	Priority Date
US-10533000-B2	Metabotrophic glutamate receptor 5 modulators and methods of use thereof	20110526
US-2014221332-A1	Metabotrophic glutamate receptor 5 modulators and methods of use thereof	20110526
EA-024245-B1	CARBOXAMIDES MODULING ANDROGENIC RECEPTORS	20110421
EP-2699561-A1	Androgen receptor modulating carboxamides	20110421
EP-2699561-B1	Androgen receptor modulating carboxamides	20110421

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[253429-30-0]
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GHS Hazard Statement:	H302+H312+H332 (100%): 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

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.08479225
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.08479225
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9