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88561-80-2 | 1,3,4-Oxadiazole, 2-[4-(4-ethylcyclohexyl)phenyl]-5-propyl-
CAS No: 88561-80-2 Catalog No: AG004BZ6 MDL No:
Product Description
Catalog Number:
AG004BZ6
Chemical Name:
1,3,4-Oxadiazole, 2-[4-(4-ethylcyclohexyl)phenyl]-5-propyl-
CAS Number:
88561-80-2
Molecular Formula:
C19H26N2O
Molecular Weight:
298.4225
IUPAC Name:
2-[4-(4-ethylcyclohexyl)phenyl]-5-propyl-1,3,4-oxadiazole
InChI:
InChI=1S/C19H26N2O/c1-3-5-18-20-21-19(22-18)17-12-10-16(11-13-17)15-8-6-14(4-2)7-9-15/h10-15H,3-9H2,1-2H3
InChI Key:
RTAMGTGJEYLVFU-UHFFFAOYSA-N
SMILES:
CCCc1nnc(o1)c1ccc(cc1)C1CCC(CC1)CC
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.205g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.43g/mol
Monoisotopic Mass:
298.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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