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

Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate - CAS 1170088-37-5

Catalog:	BB052923
Product Name:	Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
CAS:	1170088-37-5
Synonyms:	ethyl 3-[2-(1H-pyrazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxylate

Technical Data

Computed Properties

IUPAC Name:	ethyl 3-(2-pyrazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxylate
Molecular Weight:	250.25
Molecular Formula:	C11H14N4O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)CC(C)N2C=CC=N2
InChI:	InChI=1S/C11H14N4O3/c1-3-17-11(16)10-13-9(14-18-10)7-8(2)15-6-4-5-12-15/h4-6,8H,3,7H2,1-2H3
InChI Key:	UUYCZEOKKKUUOK-UHFFFAOYSA-N
Boiling Point:	389.4±44.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[881476-28-4]
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[73185-75-8]
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.10659032
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.10659032
Rotatable Bond Count:	6
Topological Polar Surface Area:	83
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3