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300816-15-3 | 6-Methyl-1'-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one
CAS No: 300816-15-3 Catalog No: AG0035KM MDL No:
Product Description
Catalog Number:
AG0035KM
Chemical Name:
6-Methyl-1'-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one
CAS Number:
300816-15-3
Molecular Formula:
C25H27N3O3
Molecular Weight:
417.5002
IUPAC Name:
6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
InChI:
InChI=1S/C25H27N3O3/c1-17-8-9-22-20(16-17)25(31-24(29)27-22)11-14-28(15-12-25)13-10-21-18(2)30-23(26-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,27,29)
InChI Key:
ODNICNWASXKNNQ-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.205g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.509g/mol
Monoisotopic Mass:
417.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| CCR2 signaling contributes to ischemia-reperfusion injury in kidney. | Journal of the American Society of Nephrology : JASN 20031001 |
| CCR2: characterization of the antagonist binding site from a combined receptor modeling/mutagenesis approach. | Journal of medicinal chemistry 20030911 |
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