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88561-82-4 | 1,3,4-Oxadiazole, 2-pentyl-5-[4-(4-propylcyclohexyl)phenyl]-
CAS No: 88561-82-4 Catalog No: AG004DQ2 MDL No:
Product Description
Catalog Number:
AG004DQ2
Chemical Name:
1,3,4-Oxadiazole, 2-pentyl-5-[4-(4-propylcyclohexyl)phenyl]-
CAS Number:
88561-82-4
Molecular Formula:
C22H32N2O
Molecular Weight:
340.5023
IUPAC Name:
2-pentyl-5-[4-(4-propylcyclohexyl)phenyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C22H32N2O/c1-3-5-6-8-21-23-24-22(25-21)20-15-13-19(14-16-20)18-11-9-17(7-4-2)10-12-18/h13-18H,3-12H2,1-2H3
InChI Key:
HFOPFWJDSHCMQZ-UHFFFAOYSA-N
SMILES:
CCCCCc1nnc(o1)c1ccc(cc1)C1CCC(CC1)CCC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.251g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.511g/mol
Monoisotopic Mass:
340.251g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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