Home Carboxys Oxazolo[4,5-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl 5-(phenylmethyl) ester

Oxazolo[4,5-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl 5-(phenylmethyl) ester

CAS No.:
1247883-69-7
Catalog Number:
AG000MQX
Molecular Formula:
C17H18N2O5
Molecular Weight:
330.3352
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Product Description
Catalog Number:
AG000MQX
Chemical Name:
Oxazolo[4,5-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl 5-(phenylmethyl) ester
CAS Number:
1247883-69-7
Molecular Formula:
C17H18N2O5
Molecular Weight:
330.3352
IUPAC Name:
5-O-benzyl 2-O-ethyl 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-2,5-dicarboxylate
InChI:
InChI=1S/C17H18N2O5/c1-2-22-16(20)15-18-13-10-19(9-8-14(13)24-15)17(21)23-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChI Key:
DTZBETUIKNRSJO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2c(n1)CN(CC2)C(=O)OCc1ccccc1
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.122g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.34g/mol
Monoisotopic Mass:
330.122g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties