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Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate

Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate - CAS 1170042-55-3

Name: Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB052849
Product Name:	Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
CAS:	1170042-55-3
Synonyms:	ethyl 3-[1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate

Technical Data

Computed Properties

IUPAC Name:	ethyl 3-[1-(4-methylpyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxylate
Molecular Weight:	264.28
Molecular Formula:	C12H16N4O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)C(C)CN2C=C(C=N2)C
InChI:	InChI=1S/C12H16N4O3/c1-4-18-12(17)11-14-10(15-19-11)9(3)7-16-6-8(2)5-13-16/h5-6,9H,4,7H2,1-3H3
InChI Key:	JFJAGXQLLMXGRS-UHFFFAOYSA-N
Boiling Point:	409.2±47.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Oxadiazole/Thiadiazole

[938459-06-4]C7H13N3O
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]C9H8N2O3S
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-29-5]C8H10N2O3
Ethyl 3-cyclopropyl-1,2,4-oxadiazole-5-carboxylate
[76162-56-6]C6H8N2O2S
ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
[37760-54-6]C11H10N2O3
Ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate

Pyrazoles

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431965-90-0]C9H16ClN3
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.12224039
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	264.12224039
Rotatable Bond Count:	6
Topological Polar Surface Area:	83
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6