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88561-83-5 | 1,3,4-Oxadiazole, 2-octyl-5-[4-(4-propylcyclohexyl)phenyl]-
CAS No: 88561-83-5 Catalog No: AG004DQ1 MDL No:
Product Description
Catalog Number:
AG004DQ1
Chemical Name:
1,3,4-Oxadiazole, 2-octyl-5-[4-(4-propylcyclohexyl)phenyl]-
CAS Number:
88561-83-5
Molecular Formula:
C25H38N2O
Molecular Weight:
382.5820
IUPAC Name:
2-octyl-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C25H38N2O/c1-3-5-6-7-8-9-11-24-26-27-25(28-24)23-18-16-22(17-19-23)21-14-12-20(10-4-2)13-15-21/h16-21H,3-15H2,1-2H3
InChI Key:
GPMRVVWRMCWPFM-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1nnc(o1)c1ccc(cc1)C1CCC(CC1)CCC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.298g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.592g/mol
Monoisotopic Mass:
382.298g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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