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

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

Publication Number	Title	Priority Date
CN-110128368-A	Furazan nitrogen oxygen class NO donator type statin derivative and preparation method thereof	20190619
CN-104844617-B	Brusatol derivative and its purposes in inflammation and immunologic function disorder disease	20140218
AU-2014231330-A1	Small molecule modulators of PCSK9 and methods of use thereof	20130315
CA-2905237-A1	Small molecule modulators of pcsk9 and methods of use thereof	20130315
EP-2961765-A1	Small molecule modulators of pcsk9 and methods of use thereof	20130315

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Related Functional Groups

Oxadiazole/Thiadiazole

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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