Oxazole-5-acetonitrile - CAS 947771-07-5

Catalog:	BB041500
Product Name:	Oxazole-5-acetonitrile
CAS:	947771-07-5
Synonyms:	2-(5-oxazolyl)acetonitrile; 2-(1,3-oxazol-5-yl)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(1,3-oxazol-5-yl)acetonitrile
Description:	Oxazole-5-acetonitrile (CAS# 947771-07-5 ) is a useful research chemical.
Molecular Weight:	108.10
Molecular Formula:	C5H4N2O
Canonical SMILES:	C1=C(OC=N1)CC#N
InChI:	InChI=1S/C5H4N2O/c6-2-1-5-3-7-4-8-5/h3-4H,1H2
InChI Key:	XUDWLFWTSOMCNP-UHFFFAOYSA-N
Boiling Point:	231.5±15.0 °C (760 mmHg)
Density:	1.179±0.06 g/cm³ (20 °C, 760 mmH g)
LogP:	0.74068

Publication Number	Title	Priority Date
WO-2019133633-A1	Composition including multiple terminally functionalized polymers	20171230
EP-3732210-A1	Composition including multiple terminally functionalized polymers	20171230
US-2020369791-A1	Composition Including Multiple Terminally Functionalized Polymers	20171230
JP-2021509429-A	Compositions Containing Multiple Terminal Functionalized Polymers	20171230
CN-109415457-A	The method for preparing functionalized polymeric	20160519

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Related Functional Groups

Nitrogen Compounds

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[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1256633-32-5]
4,5-Isoxazoledicarbonitrile

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Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.032362755
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.032362755
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0