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799854-58-3 | D-Proline, 1-[[3-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]phenyl]acetyl]-
CAS No: 799854-58-3 Catalog No: AG0054EQ MDL No:
Product Description
Catalog Number:
AG0054EQ
Chemical Name:
D-Proline, 1-[[3-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]phenyl]acetyl]-
CAS Number:
799854-58-3
Molecular Formula:
C24H24N2O5
Molecular Weight:
420.4578
IUPAC Name:
(2R)-1-[2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C24H24N2O5/c1-16-20(25-23(31-16)18-8-3-2-4-9-18)15-30-19-10-5-7-17(13-19)14-22(27)26-12-6-11-21(26)24(28)29/h2-5,7-10,13,21H,6,11-12,14-15H2,1H3,(H,28,29)/t21-/m1/s1
InChI Key:
GKSZYJFJGGPJEY-OAQYLSRUSA-N
SMILES:
OC(=O)[C@H]1CCCN1C(=O)Cc1cccc(c1)OCc1nc(oc1C)c1ccccc1
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
420.169g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.465g/mol
Monoisotopic Mass:
420.169g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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