Home Carboxys 5-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-4-carboxylic acid

5-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-4-carboxylic acid

CAS No.:
1252657-86-5
Catalog Number:
AG01BVRC
Molecular Formula:
C14H20N2O5
Molecular Weight:
296.3190
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Product Description
Catalog Number:
AG01BVRC
Chemical Name:
5-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-oxazole-4-carboxylic acid
CAS Number:
1252657-86-5
Molecular Formula:
C14H20N2O5
Molecular Weight:
296.3190
MDL Number:
MFCD30497637
IUPAC Name:
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-6-4-9(5-7-16)11-10(12(17)18)15-8-20-11/h8-9H,4-7H2,1-3H3,(H,17,18)
InChI Key:
IKDSOZSAZOWWKW-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ocnc1C(=O)O)OC(C)(C)C
Properties
Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.137g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.323g/mol
Monoisotopic Mass:
296.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties