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Home > Indoles and Oxindole > 1105196-05-1
1105196-05-1 | 2-(5-isopropyl-1,3,4-oxadiazol-2-yl)-1H-indole
CAS No: 1105196-05-1 Catalog No: AG018FX7 MDL No:MFCD11986528
Product Description
Catalog Number:
AG018FX7
Chemical Name:
2-(5-isopropyl-1,3,4-oxadiazol-2-yl)-1H-indole
CAS Number:
1105196-05-1
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
MDL Number:
MFCD11986528
IUPAC Name:
2-(1H-indol-2-yl)-5-propan-2-yl-1,3,4-oxadiazole
InChI:
InChI=1S/C13H13N3O/c1-8(2)12-15-16-13(17-12)11-7-9-5-3-4-6-10(9)14-11/h3-8,14H,1-2H3
InChI Key:
LYFGDSCHYYTNPE-UHFFFAOYSA-N
SMILES:
CC(c1nnc(o1)c1cc2c([nH]1)cccc2)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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