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1874188-32-5 | 5-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1,3-oxazole-4-carboxylic acid
CAS No: 1874188-32-5 Catalog No: AG01BT95 MDL No:MFCD30727939
Product Description
Catalog Number:
AG01BT95
Chemical Name:
5-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1,3-oxazole-4-carboxylic acid
CAS Number:
1874188-32-5
Molecular Formula:
C14H20N2O5
Molecular Weight:
296.3190
MDL Number:
MFCD30727939
IUPAC Name:
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-6-4-5-9(7-16)11-10(12(17)18)15-8-20-11/h8-9H,4-7H2,1-3H3,(H,17,18)
InChI Key:
DUSIUNYEXZYJOC-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)c1ocnc1C(=O)O)OC(C)(C)C
Properties
Complexity:
407
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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