2-(Boc-amino)oxazole-4-carbaldehyde - CAS 1060816-37-6

Catalog:	BB001810
Product Name:	2-(Boc-amino)oxazole-4-carbaldehyde
CAS:	1060816-37-6
Synonyms:	N-(4-formyl-2-oxazolyl)carbamic acid tert-butyl ester; tert-butyl N-(4-formyl-1,3-oxazol-2-yl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4-formyl-1,3-oxazol-2-yl)carbamate
Description:	2-(Boc-amino)oxazole-4-carbaldehyde (CAS# 1060816-37-6 ) is a useful research chemical.
Molecular Weight:	212.20
Molecular Formula:	C9H12N2O4
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC(=CO1)C=O
InChI:	InChI=1S/C9H12N2O4/c1-9(2,3)15-8(13)11-7-10-6(4-12)5-14-7/h4-5H,1-3H3,(H,10,11,13)
InChI Key:	DTBAXVGCDQDCFQ-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.84770

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2011166124-A1	Tricyclic spirocycle derivatives and methods of use	20080723

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Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.07970687
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.07970687
Rotatable Bond Count:	4
Topological Polar Surface Area:	81.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1