3-Phenyl-1,2,5-oxadiazole - CAS 10349-06-1

Name: 3-Phenyl-1,2,5-oxadiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001149
Product Name:	3-Phenyl-1,2,5-oxadiazole
CAS:	10349-06-1
Synonyms:	3-phenyl-1,2,5-oxadiazole; 3-phenyl-1,2,5-oxadiazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-phenyl-1,2,5-oxadiazole
Description:	3-Phenyl-1,2,5-oxadiazole (CAS# 10349-06-1 ) is a useful research chemical.
Molecular Weight:	146.15
Molecular Formula:	C8H6N2O
Canonical SMILES:	C1=CC=C(C=C1)C2=NON=C2
InChI:	InChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H
InChI Key:	CHJJHGSNNPEDNJ-UHFFFAOYSA-N
Boiling Point:	259.4 °C at 760 mmHg
Density:	1.179 g/cm³
LogP:	1.73660

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170802-11-5]C9H9ClN4O3
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]C9H9IN4O3
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1018125-37-5]C11H9FN2O3
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[163719-81-1]C11H9FN2O3
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]C9H9BrN4O3
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate

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Publication Number	Title	Priority Date
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Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.048012819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4