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1490016-27-7 | 2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
CAS No: 1490016-27-7 Catalog No: AG01ABA3 MDL No:MFCD18982324
Product Description
Catalog Number:
AG01ABA3
Chemical Name:
2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
CAS Number:
1490016-27-7
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
MDL Number:
MFCD18982324
IUPAC Name:
2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
InChI:
InChI=1S/C13H17N3O/c1-2-10-9-14-7-8-16(10)13-15-11-5-3-4-6-12(11)17-13/h3-6,10,14H,2,7-9H2,1H3
InChI Key:
JWYNOPKTWSEZLT-UHFFFAOYSA-N
SMILES:
CCC1CNCCN1c1nc2c(o1)cccc2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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