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132786-16-4 | 2-Oxazolamine, 4,5-dihydro-N-methyl-5-[(4-phenyl-1-piperazinyl)methyl]-
CAS No: 132786-16-4 Catalog No: AG00116I MDL No:
Product Description
Catalog Number:
AG00116I
Chemical Name:
2-Oxazolamine, 4,5-dihydro-N-methyl-5-[(4-phenyl-1-piperazinyl)methyl]-
CAS Number:
132786-16-4
Molecular Formula:
C15H22N4O
Molecular Weight:
274.3614
IUPAC Name:
N-methyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-imine
InChI:
InChI=1S/C15H22N4O/c1-16-15-17-11-14(20-15)12-18-7-9-19(10-8-18)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,17)
InChI Key:
VRAQGWMAAWWDBM-UHFFFAOYSA-N
SMILES:
CNC1=NCC(O1)CN1CCN(CC1)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.179g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.368g/mol
Monoisotopic Mass:
274.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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