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929972-76-9 | 1-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperazine
CAS No: 929972-76-9 Catalog No: AG019KKH MDL No:MFCD09040729
Product Description
Catalog Number:
AG019KKH
Chemical Name:
1-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}piperazine
CAS Number:
929972-76-9
Molecular Formula:
C13H17N3OS
Molecular Weight:
263.3586
MDL Number:
MFCD09040729
IUPAC Name:
5-methyl-4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
InChI:
InChI=1S/C13H17N3OS/c1-10-11(9-16-6-4-14-5-7-16)15-13(17-10)12-3-2-8-18-12/h2-3,8,14H,4-7,9H2,1H3
InChI Key:
ICFLFQHCMBWUIS-UHFFFAOYSA-N
SMILES:
Cc1oc(nc1CN1CCNCC1)c1cccs1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.359g/mol
Monoisotopic Mass:
263.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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