Home Carboxys 5-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1,3-oxazole-4-carboxylic acid

5-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1,3-oxazole-4-carboxylic acid

CAS No.:
2138361-00-7
Catalog Number:
AG01EKPQ
Molecular Formula:
C24H22N2O5
Molecular Weight:
418.4419
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Product Description
Catalog Number:
AG01EKPQ
Chemical Name:
5-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1,3-oxazole-4-carboxylic acid
CAS Number:
2138361-00-7
Molecular Formula:
C24H22N2O5
Molecular Weight:
418.4419
MDL Number:
MFCD30541566
IUPAC Name:
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C24H22N2O5/c27-23(28)21-22(31-14-25-21)15-9-11-26(12-10-15)24(29)30-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,27,28)
InChI Key:
JDFXGQDRKFWGJU-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ocnc1C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
642  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.153g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
418.449g/mol
Monoisotopic Mass:
418.153g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties