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823796-28-7 | Phenol, 2-[5-(4,5-dihydro-2-oxazolyl)-4-(dimethylamino)-2-pyrimidinyl]-
CAS No: 823796-28-7 Catalog No: AG0053B7 MDL No:
Product Description
Catalog Number:
AG0053B7
Chemical Name:
Phenol, 2-[5-(4,5-dihydro-2-oxazolyl)-4-(dimethylamino)-2-pyrimidinyl]-
CAS Number:
823796-28-7
Molecular Formula:
C15H16N4O2
Molecular Weight:
284.3131
IUPAC Name:
2-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-(dimethylamino)pyrimidin-2-yl]phenol
InChI:
InChI=1S/C15H16N4O2/c1-19(2)14-11(15-16-7-8-21-15)9-17-13(18-14)10-5-3-4-6-12(10)20/h3-6,9,20H,7-8H2,1-2H3
InChI Key:
XAWBKTQDDVSOQV-UHFFFAOYSA-N
SMILES:
CN(c1nc(ncc1C1=NCCO1)c1ccccc1O)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.319g/mol
Monoisotopic Mass:
284.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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