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1008854-29-2 | 1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazine
CAS No: 1008854-29-2 Catalog No: AG01ADD6 MDL No:MFCD11211609
Product Description
Catalog Number:
AG01ADD6
Chemical Name:
1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazine
CAS Number:
1008854-29-2
Molecular Formula:
C14H17N3O
Molecular Weight:
243.3043
MDL Number:
MFCD11211609
IUPAC Name:
3-phenyl-5-(piperazin-1-ylmethyl)-1,2-oxazole
InChI:
InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)14-10-13(18-16-14)11-17-8-6-15-7-9-17/h1-5,10,15H,6-9,11H2
InChI Key:
RYDUBIPPZMQIGW-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1onc(c1)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.31g/mol
Monoisotopic Mass:
243.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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