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199292-73-4 | 5-methyl-2-(piperazin-1-yl)-1,3-benzoxazole
CAS No: 199292-73-4 Catalog No: AG01ABA1 MDL No:MFCD11053076
Product Description
Catalog Number:
AG01ABA1
Chemical Name:
5-methyl-2-(piperazin-1-yl)-1,3-benzoxazole
CAS Number:
199292-73-4
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD11053076
IUPAC Name:
5-methyl-2-piperazin-1-yl-1,3-benzoxazole
InChI:
InChI=1S/C12H15N3O/c1-9-2-3-11-10(8-9)14-12(16-11)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChI Key:
LMWRWGVXGSCKRR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(o2)N1CCNCC1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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