5-Cbz-hexahydropyrrolo[3,4-c]isoxazole - CAS 1174730-77-8

Catalog:	BB003944
Product Name:	5-Cbz-hexahydropyrrolo[3,4-c]isoxazole
CAS:	1174730-77-8
Synonyms:	1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]isoxazole-5-carboxylic acid (phenylmethyl) ester; benzyl 1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	benzyl 1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazole-5-carboxylate
Description:	5-Cbz-hexahydropyrrolo[3,4-c]isoxazole (CAS# 1174730-77-8) is a useful research chemical.
Molecular Weight:	248.28
Molecular Formula:	C13H16N2O3
Canonical SMILES:	C1C2CONC2CN1C(=O)OCC3=CC=CC=C3
InChI:	InChI=1S/C13H16N2O3/c16-13(17-8-10-4-2-1-3-5-10)15-6-11-9-18-14-12(11)7-15/h1-5,11-12,14H,6-9H2
InChI Key:	CTIQOBZAVKTZKX-UHFFFAOYSA-N
LogP:	1.42510

Publication Number	Title	Priority Date
EP-2240494-A1	Thieno-pyridine derivatives as mek inhibitors	20080121
EP-2240494-B1	Thieno-pyridine derivatives as mek inhibitors	20080121
US-2011021558-A1	Thieno-pyridine derivatives as mek inhibitors	20080121
US-8487101-B2	Thieno-pyridine derivatives as MEK inhibitors	20080121
WO-2009093008-A1	Thieno-pyridine derivatives as mek inhibitors	20080121

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Complexity:	305
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.11609238
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	248.11609238
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.8
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1