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89813-96-7 | 1,3,4-Oxadiazole, 3-acetyl-2-ethyl-2,3-dihydro-2-methyl-5-(3-pyridinyl)-
CAS No: 89813-96-7 Catalog No: AG003XW2 MDL No:
Product Description
Catalog Number:
AG003XW2
Chemical Name:
1,3,4-Oxadiazole, 3-acetyl-2-ethyl-2,3-dihydro-2-methyl-5-(3-pyridinyl)-
CAS Number:
89813-96-7
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
1-(2-ethyl-2-methyl-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)ethanone
InChI:
InChI=1S/C12H15N3O2/c1-4-12(3)15(9(2)16)14-11(17-12)10-6-5-7-13-8-10/h5-8H,4H2,1-3H3
InChI Key:
FVUJHWDWHOSHAF-UHFFFAOYSA-N
SMILES:
CCC1(C)OC(=NN1C(=O)C)c1cccnc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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