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823795-83-1 | Phenol, 2-[4-(dimethylamino)-5-(5-oxazolyl)-2-pyrimidinyl]-
CAS No: 823795-83-1 Catalog No: AG005D68 MDL No:
Product Description
Catalog Number:
AG005D68
Chemical Name:
Phenol, 2-[4-(dimethylamino)-5-(5-oxazolyl)-2-pyrimidinyl]-
CAS Number:
823795-83-1
Molecular Formula:
C15H14N4O2
Molecular Weight:
282.2973
IUPAC Name:
2-[4-(dimethylamino)-5-(1,3-oxazol-5-yl)pyrimidin-2-yl]phenol
InChI:
InChI=1S/C15H14N4O2/c1-19(2)15-11(13-8-16-9-21-13)7-17-14(18-15)10-5-3-4-6-12(10)20/h3-9,20H,1-2H3
InChI Key:
VNZPHWUSSBXECN-UHFFFAOYSA-N
SMILES:
CN(c1nc(ncc1c1cnco1)c1ccccc1O)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.303g/mol
Monoisotopic Mass:
282.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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